4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C109H117N31O7 — CID 158810696

About 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 158810696) has the molecular formula C109H117N31O7 and a molecular weight of 1973.34 g/mol. Its IUPAC name is 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
• PubChem CID: 158810696
• Molecular Formula: C109H117N31O7
• Molecular Weight: 1973.34 g/mol
• Exact Mass: 1971.98
• IUPAC Name: 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
• SMILES: CNC(=O)C(C)(C)n1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)cn1.CNC(=O)c1c(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4C#N)ncc3c(N)n2)c(C)n1C.CNC(=O)c1c(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4C#N)ncc3c(N)n2)c(C)n1C.Cc1ccc(N)c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccc(N)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C)ncc2c(N)n1
• InChI: InChI=1S/C23H25N7O.2C22H23N7O2.2C21H23N5O/c1-14-7-5-6-8-17(14)19-9-15-10-20(26-12-18(15)21(24)29-19)28-16-11-27-30(13-16)23(2,3)22(31)25-4;2*1-10-18(11(2)29(4)19(10)22(31)25-3)16-6-12-7-17(26-9-15(12)20(24)27-16)28-21(30)14-5-13(14)8-23;2*1-10-4-5-16(22)12(3)19(10)17-7-13-8-18(24-9-15(13)20(23)25-17)26-21(27)14-6-11(14)2/h5-13H,1-4H3,(H2,24,29)(H,25,31)(H,26,28);2*6-7,9,13-14H,5H2,1-4H3,(H2,24,27)(H,25,31)(H,26,28,30);2*4-5,7-9,11,14H,6,22H2,1-3H3,(H2,23,25)(H,24,26,27)/t;2*13-,14+;2*11-,14-/m.1010/s1
• InChIKey: IUQNRDAMEQOAFR-YFFHTLDMSA-N
• XLogP: 15.54
• TPSA: 602.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1973.34
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The IUPAC name of 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 158810696) is 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

What is the SMILES notation for 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The canonical SMILES for 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is CNC(=O)C(C)(C)n1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)cn1.CNC(=O)c1c(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4C#N)ncc3c(N)n2)c(C)n1C.CNC(=O)c1c(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4C#N)ncc3c(N)n2)c(C)n1C.Cc1ccc(N)c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccc(N)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C)ncc2c(N)n1.

What is the InChIKey of 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The InChIKey is IUQNRDAMEQOAFR-YFFHTLDMSA-N. The full InChI is InChI=1S/C23H25N7O.2C22H23N7O2.2C21H23N5O/c1-14-7-5-6-8-17(14)19-9-15-10-20(26-12-18(15)21(24)29-19)28-16-11-27-30(13-16)23(2,3)22(31)25-4;2*1-10-18(11(2)29(4)19(10)22(31)25-3)16-6-12-7-17(26-9-15(12)20(24)27-16)28-21(30)14-5-13(14)8-23;2*1-10-4-5-16(22)12(3)19(10)17-7-13-8-18(24-9-15(13)20(23)25-17)26-21(27)14-6-11(14)2/h5-13H,1-4H3,(H2,24,29)(H,25,31)(H,26,28);2*6-7,9,13-14H,5H2,1-4H3,(H2,24,27)(H,25,31)(H,26,28,30);2*4-5,7-9,11,14H,6,22H2,1-3H3,(H2,23,25)(H,24,26,27)/t;2*13-,14+;2*11-,14-/m.1010/s1.

What are the key properties of 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 1973.34 g/mol, XLogP of 15.54, 19 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-amino-6-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;4-[1-amino-6-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,1,3,5-tetramethylpyrrole-2-carboxamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-amino-2,6-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 158810696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).