1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide

C26H30N4O4S — CID 90644282

IUPAC1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C
InChIInChI=1S/C26H30N4O4S/c1-3-7-23(31)22-16-20(17-27)24(28-18(22)2)30-14-10-19(11-15-30)25(32)29-35(33,34)26(12-13-26)21-8-5-4-6-9-21/h4-6,8-9,16,19H,3,7,10-15H2,1-2H3,(H,29,32)
InChIKeyNKCDYNRFOWEPIB-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.60
Rot. Bonds8

About 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide

1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide (PubChem CID 90644282) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide
PubChem CID90644282
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C
InChIInChI=1S/C26H30N4O4S/c1-3-7-23(31)22-16-20(17-27)24(28-18(22)2)30-14-10-19(11-15-30)25(32)29-35(33,34)26(12-13-26)21-8-5-4-6-9-21/h4-6,8-9,16,19H,3,7,10-15H2,1-2H3,(H,29,32)
InChIKeyNKCDYNRFOWEPIB-UHFFFAOYSA-N
XLogP3.60
TPSA120.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide
CID 44554515
N-benzylsulfonyl-1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 44555026
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 44608149
N-benzylsulfonyl-1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridinyl)piperidine-4-carboxamide
CID 44610468
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 44610518
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(2,4-difluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 44610519
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(3-fluoro-4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 44610522
N-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(3-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 68550683
N-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(2-phenylethylsulfonyl)piperidine-4-carboxamide
CID 68554177
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide
CID 68556549
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 68556579
N-benzylsulfonyl-1-(5-butanoyl-3-cyano-6-propyl-2-pyridinyl)piperidine-4-carboxamide
CID 90644279

Frequently Asked Questions

What is the IUPAC name of 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide (CID 90644282) is 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide is CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C.
What is the InChIKey of 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NKCDYNRFOWEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-3-7-23(31)22-16-20(17-27)24(28-18(22)2)30-14-10-19(11-15-30)25(32)29-35(33,34)26(12-13-26)21-8-5-4-6-9-21/h4-6,8-9,16,19H,3,7,10-15H2,1-2H3,(H,29,32).
What are the key properties of 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide?
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 90644282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).