N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide

C25H30N4O6S — CID 68556291

IUPACN-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C25H30N4O6S/c1-4-5-22(30)21-14-19(15-26)23(28-24(21)35-3)29(25(31)18-10-12-27-13-11-18)36(32,33)16-17-6-8-20(34-2)9-7-17/h6-9,14,18,27H,4-5,10-13,16H2,1-3H3
InChIKeyMHZYCZQFEQLWGI-UHFFFAOYSA-N
MW514.60 g/mol
LogP2.82
Rot. Bonds10

About N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide

N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 68556291) has the molecular formula C25H30N4O6S and a molecular weight of 514.60 g/mol. Its IUPAC name is N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID68556291
Molecular FormulaC25H30N4O6S
Molecular Weight514.60 g/mol
Exact Mass514.19
IUPAC NameN-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C25H30N4O6S/c1-4-5-22(30)21-14-19(15-26)23(28-24(21)35-3)29(25(31)18-10-12-27-13-11-18)36(32,33)16-17-6-8-20(34-2)9-7-17/h6-9,14,18,27H,4-5,10-13,16H2,1-3H3
InChIKeyMHZYCZQFEQLWGI-UHFFFAOYSA-N
XLogP2.82
TPSA138.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]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

Frequently Asked Questions

What is the IUPAC name of N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 68556291) is N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide is CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2ccc(OC)cc2)nc1OC.
What is the InChIKey of N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is MHZYCZQFEQLWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6S/c1-4-5-22(30)21-14-19(15-26)23(28-24(21)35-3)29(25(31)18-10-12-27-13-11-18)36(32,33)16-17-6-8-20(34-2)9-7-17/h6-9,14,18,27H,4-5,10-13,16H2,1-3H3.
What are the key properties of N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 514.60 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 68556291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).