(2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea

C119H125N33O8S — CID 158706209

IUPAC(2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCCc1ccccc1-c1cc2cc(NC(=O)CC#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N(C)C)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)NC(C)C)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)NCc3cncs3)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N[C@@H](C)C(N)=O)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N[C@H](C)C(N)=O)ncc2c(N)n1
InChIInChI=1S/C21H20N6OS.2C20H22N6O2.C20H23N5O.C19H21N5O.C19H17N5O/c1-2-13-5-3-4-6-16(13)18-7-14-8-19(24-11-17(14)20(22)26-18)27-21(28)25-10-15-9-23-12-29-15;2*1-3-12-6-4-5-7-14(12)16-8-13-9-17(23-10-15(13)18(21)25-16)26-20(28)24-11(2)19(22)27;1-4-13-7-5-6-8-15(13)17-9-14-10-18(25-20(26)23-12(2)3)22-11-16(14)19(21)24-17;1-4-12-7-5-6-8-14(12)16-9-13-10-17(23-19(25)24(2)3)21-11-15(13)18(20)22-16;1-2-12-5-3-4-6-14(12)16-9-13-10-17(24-18(25)7-8-20)22-11-15(13)19(21)23-16/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H2,24,25,27,28);2*4-11H,3H2,1-2H3,(H2,21,25)(H2,22,27)(H2,23,24,26,28);5-12H,4H2,1-3H3,(H2,21,24)(H2,22,23,25,26);5-11H,4H2,1-3H3,(H2,20,22)(H,21,23,25);3-6,9-11H,2,7H2,1H3,(H2,21,23)(H,22,24,25)/t;2*11-;;;/m.10.../s1
InChIKeyIIDLABWJWFGPSX-GPJCXWOWSA-N
MW2177.60 g/mol
LogP19.89
Rot. Bonds26

About (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea

(2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea (PubChem CID 158706209) has the molecular formula C119H125N33O8S and a molecular weight of 2177.60 g/mol. Its IUPAC name is (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea.

Molecular Properties

Compound Name(2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
PubChem CID158706209
Molecular FormulaC119H125N33O8S
Molecular Weight2177.60 g/mol
Exact Mass2176.01
IUPAC Name(2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCCc1ccccc1-c1cc2cc(NC(=O)CC#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N(C)C)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)NC(C)C)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)NCc3cncs3)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N[C@@H](C)C(N)=O)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N[C@H](C)C(N)=O)ncc2c(N)n1
InChIInChI=1S/C21H20N6OS.2C20H22N6O2.C20H23N5O.C19H21N5O.C19H17N5O/c1-2-13-5-3-4-6-16(13)18-7-14-8-19(24-11-17(14)20(22)26-18)27-21(28)25-10-15-9-23-12-29-15;2*1-3-12-6-4-5-7-14(12)16-8-13-9-17(23-10-15(13)18(21)25-16)26-20(28)24-11(2)19(22)27;1-4-13-7-5-6-8-15(13)17-9-14-10-18(25-20(26)23-12(2)3)22-11-16(14)19(21)24-17;1-4-12-7-5-6-8-14(12)16-9-13-10-17(23-19(25)24(2)3)21-11-15(13)18(20)22-16;1-2-12-5-3-4-6-14(12)16-9-13-10-17(24-18(25)7-8-20)22-11-15(13)19(21)23-16/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H2,24,25,27,28);2*4-11H,3H2,1-2H3,(H2,21,25)(H2,22,27)(H2,23,24,26,28);5-12H,4H2,1-3H3,(H2,21,24)(H2,22,23,25,26);5-11H,4H2,1-3H3,(H2,20,22)(H,21,23,25);3-6,9-11H,2,7H2,1H3,(H2,21,23)(H,22,24,25)/t;2*11-;;;/m.10.../s1
InChIKeyIIDLABWJWFGPSX-GPJCXWOWSA-N
XLogP19.89
TPSA659.62 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.60
LogP ≤ 519.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Analyze (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea with MolForge

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Related Compounds

3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 158167794
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696
1-[8-amino-6-(4-ethyl-4-methyl-3H-pyridin-3-yl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 163660277
1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 135344957
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
CID 135344339
cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157087111
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
cis-(1S,2S)-N-[8-amino-6-(2-cyanophenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139469002
N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344747
3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 159211145
(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
The IUPAC name of (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea (CID 158706209) is (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea.
What is the SMILES notation for (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
The canonical SMILES for (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea is CCc1ccccc1-c1cc2cc(NC(=O)CC#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N(C)C)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)NC(C)C)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)NCc3cncs3)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N[C@@H](C)C(N)=O)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)N[C@H](C)C(N)=O)ncc2c(N)n1.
What is the InChIKey of (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
The InChIKey is IIDLABWJWFGPSX-GPJCXWOWSA-N. The full InChI is InChI=1S/C21H20N6OS.2C20H22N6O2.C20H23N5O.C19H21N5O.C19H17N5O/c1-2-13-5-3-4-6-16(13)18-7-14-8-19(24-11-17(14)20(22)26-18)27-21(28)25-10-15-9-23-12-29-15;2*1-3-12-6-4-5-7-14(12)16-8-13-9-17(23-10-15(13)18(21)25-16)26-20(28)24-11(2)19(22)27;1-4-13-7-5-6-8-15(13)17-9-14-10-18(25-20(26)23-12(2)3)22-11-16(14)19(21)24-17;1-4-12-7-5-6-8-14(12)16-9-13-10-17(23-19(25)24(2)3)21-11-15(13)18(20)22-16;1-2-12-5-3-4-6-14(12)16-9-13-10-17(24-18(25)7-8-20)22-11-15(13)19(21)23-16/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H2,24,25,27,28);2*4-11H,3H2,1-2H3,(H2,21,25)(H2,22,27)(H2,23,24,26,28);5-12H,4H2,1-3H3,(H2,21,24)(H2,22,23,25,26);5-11H,4H2,1-3H3,(H2,20,22)(H,21,23,25);3-6,9-11H,2,7H2,1H3,(H2,21,23)(H,22,24,25)/t;2*11-;;;/m.10.../s1.
What are the key properties of (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
(2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea has a molecular weight of 2177.60 g/mol, XLogP of 19.89, 26 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;(2S)-2-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanoacetamide;3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-propan-2-ylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea is sourced from PubChem (CID 158706209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).