1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide

C17H17N3O2 — CID 138995698

IUPAC1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(19-14-8-10-18-11-9-14)15-7-4-12-20(15)17(22)13-5-2-1-3-6-13/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19,21)
InChIKeyIRZHIKMRZWOOOB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.32
Rot. Bonds3

About 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide

1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide (PubChem CID 138995698) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
PubChem CID138995698
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(19-14-8-10-18-11-9-14)15-7-4-12-20(15)17(22)13-5-2-1-3-6-13/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19,21)
InChIKeyIRZHIKMRZWOOOB-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2R)-N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-4-carbonyl)piperidine-2-carboxamide
CID 42096212
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 136577370
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide (CID 138995698) is 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide is O=C(Nc1ccncc1)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is IRZHIKMRZWOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(19-14-8-10-18-11-9-14)15-7-4-12-20(15)17(22)13-5-2-1-3-6-13/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19,21).
What are the key properties of 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 138995698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).