N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide

C22H28N2O2 — CID 23588032

IUPACN-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)c(=O)n(CC2CCCCC2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-13-20(21(25)23-14-18-9-5-3-6-10-18)22(26)24(17(16)2)15-19-11-7-4-8-12-19/h3,5-6,9-10,13,19H,4,7-8,11-12,14-15H2,1-2H3,(H,23,25)
InChIKeyJPBUGWIJCWBQQU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.98
Rot. Bonds5

About N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide

N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 23588032) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID23588032
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)c(=O)n(CC2CCCCC2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-13-20(21(25)23-14-18-9-5-3-6-10-18)22(26)24(17(16)2)15-19-11-7-4-8-12-19/h3,5-6,9-10,13,19H,4,7-8,11-12,14-15H2,1-2H3,(H,23,25)
InChIKeyJPBUGWIJCWBQQU-UHFFFAOYSA-N
XLogP3.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide (CID 23588032) is N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2)c(=O)n(CC2CCCCC2)c1C.
What is the InChIKey of N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is JPBUGWIJCWBQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-13-20(21(25)23-14-18-9-5-3-6-10-18)22(26)24(17(16)2)15-19-11-7-4-8-12-19/h3,5-6,9-10,13,19H,4,7-8,11-12,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 23588032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).