N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H29N7O — CID 119846496

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H29N7O/c28-20(18-15-27(25-24-18)17-7-9-21-10-8-17)23-14-16-5-6-19(22-13-16)26-11-3-1-2-4-12-26/h5-6,13,15,17,21H,1-4,7-12,14H2,(H,23,28)
InChIKeyKHDVZXPPPCRWFF-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.91
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119846496) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119846496
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H29N7O/c28-20(18-15-27(25-24-18)17-7-9-21-10-8-17)23-14-16-5-6-19(22-13-16)26-11-3-1-2-4-12-26/h5-6,13,15,17,21H,1-4,7-12,14H2,(H,23,28)
InChIKeyKHDVZXPPPCRWFF-UHFFFAOYSA-N
XLogP1.91
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
CID 119839749
5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 119399541
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119846347
N-[(6-phenoxy-3-pyridinyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872250
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
CID 119725267
3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
CID 128786544
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119846496) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1ccc(N2CCCCCC2)nc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KHDVZXPPPCRWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c28-20(18-15-27(25-24-18)17-7-9-21-10-8-17)23-14-16-5-6-19(22-13-16)26-11-3-1-2-4-12-26/h5-6,13,15,17,21H,1-4,7-12,14H2,(H,23,28).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119846496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).