N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C19H21N5O2 — CID 172664179

IUPACN-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C19H21N5O2/c1-12-6-9-24(14-4-7-20-8-5-14)19(26)17(12)18(25)23-13-2-3-15-16(10-13)22-11-21-15/h2-3,6,9-11,14,20H,4-5,7-8H2,1H3,(H,21,22)(H,23,25)
InChIKeySNRPUUJZKQYXKW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.21
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172664179) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
PubChem CID172664179
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C19H21N5O2/c1-12-6-9-24(14-4-7-20-8-5-14)19(26)17(12)18(25)23-13-2-3-15-16(10-13)22-11-21-15/h2-3,6,9-11,14,20H,4-5,7-8H2,1H3,(H,21,22)(H,23,25)
InChIKeySNRPUUJZKQYXKW-UHFFFAOYSA-N
XLogP2.21
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172664179) is N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is SNRPUUJZKQYXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-6-9-24(14-4-7-20-8-5-14)19(26)17(12)18(25)23-13-2-3-15-16(10-13)22-11-21-15/h2-3,6,9-11,14,20H,4-5,7-8H2,1H3,(H,21,22)(H,23,25).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172664179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).