(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C194H190N46O19 — CID 159142148

IUPAC(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@@H]3C#N)ncc2c(N)n1.Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)ncc2c(N)n1
InChIInChI=1S/6C22H23N5O2.2C21H16N6O3.C20H20N4O/c4*1-12-6-4-5-7-14(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(28)15-10-16(15)22(29)27(2)3;2*1-3-24-21(28)15-10-16(15)22(29)27-19-9-13-8-18(14-7-5-4-6-12(14)2)26-20(23)17(13)11-25-19;2*1-9-2-16-17(30-21(29)26-16)6-12(9)15-4-10-5-18(24-8-14(10)19(23)25-15)27-20(28)13-3-11(13)7-22;1-11-5-3-4-6-14(11)17-8-13-9-18(22-10-16(13)19(21)23-17)24-20(25)15-7-12(15)2/h4*4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);2*4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29);2*2,4-6,8,11,13H,3H2,1H3,(H2,23,25)(H,26,29)(H,24,27,28);3-6,8-10,12,15H,7H2,1-2H3,(H2,21,23)(H,22,24,25)/t2*15-,16+;2*15-,16-;2*15-,16+;2*11-,13?;12-,15-/m101010101/s1
InChIKeyKIFKBTNUJNKSCL-MKTOVCJHSA-N
MW3469.96 g/mol
LogP26.42
Rot. Bonds35

About (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 159142148) has the molecular formula C194H190N46O19 and a molecular weight of 3469.96 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID159142148
Molecular FormulaC194H190N46O19
Molecular Weight3469.96 g/mol
Exact Mass3467.53
IUPAC Name(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@@H]3C#N)ncc2c(N)n1.Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)ncc2c(N)n1
InChIInChI=1S/6C22H23N5O2.2C21H16N6O3.C20H20N4O/c4*1-12-6-4-5-7-14(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(28)15-10-16(15)22(29)27(2)3;2*1-3-24-21(28)15-10-16(15)22(29)27-19-9-13-8-18(14-7-5-4-6-12(14)2)26-20(23)17(13)11-25-19;2*1-9-2-16-17(30-21(29)26-16)6-12(9)15-4-10-5-18(24-8-14(10)19(23)25-15)27-20(28)13-3-11(13)7-22;1-11-5-3-4-6-14(11)17-8-13-9-18(22-10-16(13)19(21)23-17)24-20(25)15-7-12(15)2/h4*4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);2*4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29);2*2,4-6,8,11,13H,3H2,1H3,(H2,23,25)(H,26,29)(H,24,27,28);3-6,8-10,12,15H,7H2,1-2H3,(H2,21,23)(H,22,24,25)/t2*15-,16+;2*15-,16-;2*15-,16+;2*11-,13?;12-,15-/m101010101/s1
InChIKeyKIFKBTNUJNKSCL-MKTOVCJHSA-N
XLogP26.42
TPSA1007.12 Ų
H-Bond Donors22
H-Bond Acceptors48
Rotatable Bonds35
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003469.96
LogP ≤ 526.42
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1048

Analyze (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 159142148) is (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is CCNC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@@H]3C#N)ncc2c(N)n1.Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)ncc2c(N)n1.
What is the InChIKey of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KIFKBTNUJNKSCL-MKTOVCJHSA-N. The full InChI is InChI=1S/6C22H23N5O2.2C21H16N6O3.C20H20N4O/c4*1-12-6-4-5-7-14(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(28)15-10-16(15)22(29)27(2)3;2*1-3-24-21(28)15-10-16(15)22(29)27-19-9-13-8-18(14-7-5-4-6-12(14)2)26-20(23)17(13)11-25-19;2*1-9-2-16-17(30-21(29)26-16)6-12(9)15-4-10-5-18(24-8-14(10)19(23)25-15)27-20(28)13-3-11(13)7-22;1-11-5-3-4-6-14(11)17-8-13-9-18(22-10-16(13)19(21)23-17)24-20(25)15-7-12(15)2/h4*4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);2*4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29);2*2,4-6,8,11,13H,3H2,1H3,(H2,23,25)(H,26,29)(H,24,27,28);3-6,8-10,12,15H,7H2,1-2H3,(H2,21,23)(H,22,24,25)/t2*15-,16+;2*15-,16-;2*15-,16+;2*11-,13?;12-,15-/m101010101/s1.
What are the key properties of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 3469.96 g/mol, XLogP of 26.42, 35 rotatable bonds, 22 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 159142148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).