N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide

C27H30N4O3 — CID 45195904

IUPACN-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCCCC2c2cccnc2)c1
InChIInChI=1S/C27H30N4O3/c1-19(2)30-17-22(26(33)29-15-20-9-4-3-5-10-20)25(32)23(18-30)27(34)31-14-7-6-12-24(31)21-11-8-13-28-16-21/h3-5,8-11,13,16-19,24H,6-7,12,14-15H2,1-2H3,(H,29,33)
InChIKeyXKLQWURRSWRJBL-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.12
Rot. Bonds6

About N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 45195904) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID45195904
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCCCC2c2cccnc2)c1
InChIInChI=1S/C27H30N4O3/c1-19(2)30-17-22(26(33)29-15-20-9-4-3-5-10-20)25(32)23(18-30)27(34)31-14-7-6-12-24(31)21-11-8-13-28-16-21/h3-5,8-11,13,16-19,24H,6-7,12,14-15H2,1-2H3,(H,29,33)
InChIKeyXKLQWURRSWRJBL-UHFFFAOYSA-N
XLogP4.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide with MolForge

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Related Compounds

methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide
CID 42171259
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42277870
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 162976309
3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
CID 163002430
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
CID 110085093
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 162990301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 45195904) is N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide is CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCCCC2c2cccnc2)c1.
What is the InChIKey of N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is XKLQWURRSWRJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19(2)30-17-22(26(33)29-15-20-9-4-3-5-10-20)25(32)23(18-30)27(34)31-14-7-6-12-24(31)21-11-8-13-28-16-21/h3-5,8-11,13,16-19,24H,6-7,12,14-15H2,1-2H3,(H,29,33).
What are the key properties of N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 45195904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).