N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C20H22N6O2 — CID 99696808

IUPACN-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C20H22N6O2/c27-19-17(7-4-10-26(19)13-15-5-2-1-3-6-15)23-20(28)25-11-8-16(9-12-25)18-21-14-22-24-18/h1-7,10,14,16H,8-9,11-13H2,(H,23,28)(H,21,22,24)
InChIKeyJFOOAXZBPIFUGN-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.43
Rot. Bonds4

About N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 99696808) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID99696808
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C20H22N6O2/c27-19-17(7-4-10-26(19)13-15-5-2-1-3-6-15)23-20(28)25-11-8-16(9-12-25)18-21-14-22-24-18/h1-7,10,14,16H,8-9,11-13H2,(H,23,28)(H,21,22,24)
InChIKeyJFOOAXZBPIFUGN-UHFFFAOYSA-N
XLogP2.43
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-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-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086570
1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclopropylurea
CID 167960559
N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75512643
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 97053772
1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea
CID 71856012
4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one
CID 170505167
N-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 86792345
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75512640
N-[(2S)-1-(4-methylphenyl)butan-2-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96995556
2-methylsulfanyl-2-phenyl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 136513251
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96981455
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 122570918

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 99696808) is N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is JFOOAXZBPIFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19-17(7-4-10-26(19)13-15-5-2-1-3-6-15)23-20(28)25-11-8-16(9-12-25)18-21-14-22-24-18/h1-7,10,14,16H,8-9,11-13H2,(H,23,28)(H,21,22,24).
What are the key properties of N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99696808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).