1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide

C21H21N5O3 — CID 126820989

IUPAC1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCN(c2cccnc2)C1=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C21H21N5O3/c27-19(13-5-8-18-17(11-13)24-21(29)26(18)14-6-7-14)23-16-4-2-10-25(20(16)28)15-3-1-9-22-12-15/h1,3,5,8-9,11-12,14,16H,2,4,6-7,10H2,(H,23,27)(H,24,29)
InChIKeyIISMVZIURLNRQY-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.98
Rot. Bonds4

About 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide

1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 126820989) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID126820989
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCN(c2cccnc2)C1=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C21H21N5O3/c27-19(13-5-8-18-17(11-13)24-21(29)26(18)14-6-7-14)23-16-4-2-10-25(20(16)28)15-3-1-9-22-12-15/h1,3,5,8-9,11-12,14,16H,2,4,6-7,10H2,(H,23,27)(H,24,29)
InChIKeyIISMVZIURLNRQY-UHFFFAOYSA-N
XLogP1.98
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 126837543
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide (CID 126820989) is 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide is O=C(NC1CCCN(c2cccnc2)C1=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is IISMVZIURLNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-19(13-5-8-18-17(11-13)24-21(29)26(18)14-6-7-14)23-16-4-2-10-25(20(16)28)15-3-1-9-22-12-15/h1,3,5,8-9,11-12,14,16H,2,4,6-7,10H2,(H,23,27)(H,24,29).
What are the key properties of 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126820989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).