N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide

C25H25N7O2 — CID 139452110

About N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide

N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 139452110) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide
• PubChem CID: 139452110
• Molecular Formula: C25H25N7O2
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.21
• IUPAC Name: N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide
• SMILES: Cc1cc(N)nc2c1C(NC(=O)c1cn(Cc3ccc(Cn4ccccc4=O)cc3)nn1)CC2
• InChI: InChI=1S/C25H25N7O2/c1-16-12-22(26)27-19-9-10-20(24(16)19)28-25(34)21-15-32(30-29-21)14-18-7-5-17(6-8-18)13-31-11-3-2-4-23(31)33/h2-8,11-12,15,20H,9-10,13-14H2,1H3,(H2,26,27)(H,28,34)
• InChIKey: UZGQNEPUORSINM-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide?

The IUPAC name of N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide (CID 139452110) is N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide.

What is the SMILES notation for N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide is Cc1cc(N)nc2c1C(NC(=O)c1cn(Cc3ccc(Cn4ccccc4=O)cc3)nn1)CC2.

What is the InChIKey of N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide?

The InChIKey is UZGQNEPUORSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-16-12-22(26)27-19-9-10-20(24(16)19)28-25(34)21-15-32(30-29-21)14-18-7-5-17(6-8-18)13-31-11-3-2-4-23(31)33/h2-8,11-12,15,20H,9-10,13-14H2,1H3,(H2,26,27)(H,28,34).

What are the key properties of N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide?

N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139452110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).