(2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide

C88H87N21O8 — CID 162221103

About (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide

(2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide (PubChem CID 162221103) has the molecular formula C88H87N21O8 and a molecular weight of 1566.80 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide
• PubChem CID: 162221103
• Molecular Formula: C88H87N21O8
• Molecular Weight: 1566.80 g/mol
• Exact Mass: 1565.70
• IUPAC Name: (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide
• SMILES: C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)C5C[C@@H]5C#N)ncc4c(N)n3)cc2O1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.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
• InChI: InChI=1S/C22H18N6O2.3C22H23N5O2/c1-10-3-18-19(30-11(2)26-18)7-14(10)17-5-12-6-20(25-9-16(12)21(24)27-17)28-22(29)15-4-13(15)8-23;2*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;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/h3,5-7,9,13,15,26H,2,4H2,1H3,(H2,24,27)(H,25,28,29);2*4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29)/t13-,15?;3*15-,16+/m1100/s1
• InChIKey: ZUCZWORLZBCDHN-XJEJPJCGSA-N
• XLogP: 12.16
• TPSA: 438.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1566.80
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide?

The IUPAC name of (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide (CID 162221103) is (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide.

What is the SMILES notation for (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide?

The canonical SMILES for (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide is C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)C5C[C@@H]5C#N)ncc4c(N)n3)cc2O1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.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 (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide?

The InChIKey is ZUCZWORLZBCDHN-XJEJPJCGSA-N. The full InChI is InChI=1S/C22H18N6O2.3C22H23N5O2/c1-10-3-18-19(30-11(2)26-18)7-14(10)17-5-12-6-20(25-9-16(12)21(24)27-17)28-22(29)15-4-13(15)8-23;2*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;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/h3,5-7,9,13,15,26H,2,4H2,1H3,(H2,24,27)(H,25,28,29);2*4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29)/t13-,15?;3*15-,16+/m1100/s1.

What are the key properties of (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide?

(2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide has a molecular weight of 1566.80 g/mol, XLogP of 12.16, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[8-amino-6-(5-methyl-2-methylidene-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-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 162221103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).