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

C24H23N7O2 — CID 139452106

IUPACN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nn1
InChIInChI=1S/C24H23N7O2/c25-22-11-8-18-19(26-22)9-10-20(18)27-24(33)21-15-31(29-28-21)14-17-6-4-16(5-7-17)13-30-12-2-1-3-23(30)32/h1-8,11-12,15,20H,9-10,13-14H2,(H2,25,26)(H,27,33)
InChIKeyWKZOGGQVVZDFQR-UHFFFAOYSA-N
MW441.50 g/mol
LogP1.93
Rot. Bonds6

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

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 139452106) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide
PubChem CID139452106
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nn1
InChIInChI=1S/C24H23N7O2/c25-22-11-8-18-19(26-22)9-10-20(18)27-24(33)21-15-31(29-28-21)14-17-6-4-16(5-7-17)13-30-12-2-1-3-23(30)32/h1-8,11-12,15,20H,9-10,13-14H2,(H2,25,26)(H,27,33)
InChIKeyWKZOGGQVVZDFQR-UHFFFAOYSA-N
XLogP1.93
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-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-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide (CID 139452106) is N-(2-amino-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-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-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nn1.
What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide?
The InChIKey is WKZOGGQVVZDFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c25-22-11-8-18-19(26-22)9-10-20(18)27-24(33)21-15-31(29-28-21)14-17-6-4-16(5-7-17)13-30-12-2-1-3-23(30)32/h1-8,11-12,15,20H,9-10,13-14H2,(H2,25,26)(H,27,33).
What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]triazole-4-carboxamide?
N-(2-amino-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 441.50 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-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 139452106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).