6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

C24H30N4O3 — CID 92635716

IUPAC6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C24H30N4O3/c29-22-11-10-20(17-28(22)18-23(30)27-14-4-1-5-15-27)24(31)25-21-9-3-2-8-19(21)16-26-12-6-7-13-26/h2-3,8-11,17H,1,4-7,12-16,18H2,(H,25,31)
InChIKeyCKAWPPNPNGAQQG-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.71
Rot. Bonds6

About 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 92635716) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID92635716
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C24H30N4O3/c29-22-11-10-20(17-28(22)18-23(30)27-14-4-1-5-15-27)24(31)25-21-9-3-2-8-19(21)16-26-12-6-7-13-26/h2-3,8-11,17H,1,4-7,12-16,18H2,(H,25,31)
InChIKeyCKAWPPNPNGAQQG-UHFFFAOYSA-N
XLogP2.71
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92634467
4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676837
N-(2-ethylphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844020
N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635600
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131894722
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106853302
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635560

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 92635716) is 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1CN1CCCC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1.
What is the InChIKey of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CKAWPPNPNGAQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-22-11-10-20(17-28(22)18-23(30)27-14-4-1-5-15-27)24(31)25-21-9-3-2-8-19(21)16-26-12-6-7-13-26/h2-3,8-11,17H,1,4-7,12-16,18H2,(H,25,31).
What are the key properties of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).