N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C24H26F2N4O4S — CID 90644280

IUPACN-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F
InChIInChI=1S/C24H26F2N4O4S/c1-2-6-20(31)19-13-18(14-27)23(28-21(19)22(25)26)30-11-9-17(10-12-30)24(32)29-35(33,34)15-16-7-4-3-5-8-16/h3-5,7-8,13,17,22H,2,6,9-12,15H2,1H3,(H,29,32)
InChIKeyNMNRBHBBEHCKPN-UHFFFAOYSA-N
MW504.56 g/mol
LogP3.74
Rot. Bonds9

About N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 90644280) has the molecular formula C24H26F2N4O4S and a molecular weight of 504.56 g/mol. Its IUPAC name is N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID90644280
Molecular FormulaC24H26F2N4O4S
Molecular Weight504.56 g/mol
Exact Mass504.16
IUPAC NameN-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F
InChIInChI=1S/C24H26F2N4O4S/c1-2-6-20(31)19-13-18(14-27)23(28-21(19)22(25)26)30-11-9-17(10-12-30)24(32)29-35(33,34)15-16-7-4-3-5-8-16/h3-5,7-8,13,17,22H,2,6,9-12,15H2,1H3,(H,29,32)
InChIKeyNMNRBHBBEHCKPN-UHFFFAOYSA-N
XLogP3.74
TPSA120.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azd-1283
CID 23649325
1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide
CID 44554515
Ethyl 5-cyano-6-[4-({[(4-fluorobenzyl)sulfonyl]amino}carbonyl)piperidin-1-yl]-2-methylnicotinate
CID 15983672
Ethyl 5-cyano-6-(4-{[(2,4-difluorobenzyl)sulfonyl]carbamoyl}piperidin-1-yl)-2-methylnicotinate
CID 24968874
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

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 90644280) is N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F.
What is the InChIKey of N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is NMNRBHBBEHCKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4S/c1-2-6-20(31)19-13-18(14-27)23(28-21(19)22(25)26)30-11-9-17(10-12-30)24(32)29-35(33,34)15-16-7-4-3-5-8-16/h3-5,7-8,13,17,22H,2,6,9-12,15H2,1H3,(H,29,32).
What are the key properties of N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 504.56 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-1-[5-butanoyl-3-cyano-6-(difluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 90644280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).