1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide

C27H31N3O4 — CID 45238070

IUPAC1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C27H31N3O4/c1-3-19(2)30-17-23(26(32)28-16-22-10-7-15-34-22)25(31)24(18-30)27(33)29-13-11-21(12-14-29)20-8-5-4-6-9-20/h4-10,15,17-19,21H,3,11-14,16H2,1-2H3,(H,28,32)
InChIKeyWAZFLBRKWQFNPX-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.36
Rot. Bonds7

About 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide

1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 45238070) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID45238070
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C27H31N3O4/c1-3-19(2)30-17-23(26(32)28-16-22-10-7-15-34-22)25(31)24(18-30)27(33)29-13-11-21(12-14-29)20-8-5-4-6-9-20/h4-10,15,17-19,21H,3,11-14,16H2,1-2H3,(H,28,32)
InChIKeyWAZFLBRKWQFNPX-UHFFFAOYSA-N
XLogP4.36
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45242955
1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
CID 45243150
N-butyl-1-(furan-2-ylmethyl)-4-oxo-5-(3-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45230297
N-butyl-1-(furan-2-ylmethyl)-4-oxo-5-[(3S)-3-phenylpiperidine-1-carbonyl]pyridine-3-carboxamide
CID 42499416
3-(4-methylpiperidine-1-carbonyl)-5-(4-phenylazepane-1-carbonyl)-1-propan-2-ylpyridin-4-one
CID 45197914
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42277870
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
5-(azepane-1-carbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(2R)-butan-2-yl]-4-oxopyridine-3-carboxamide
CID 42170570
5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide
CID 26344354
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperidine-1-carbonyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 118756138

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 45238070) is 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide is CCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is WAZFLBRKWQFNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-3-19(2)30-17-23(26(32)28-16-22-10-7-15-34-22)25(31)24(18-30)27(33)29-13-11-21(12-14-29)20-8-5-4-6-9-20/h4-10,15,17-19,21H,3,11-14,16H2,1-2H3,(H,28,32).
What are the key properties of 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide?
1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 45238070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).