N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide

C14H20N2O2 — CID 113221304

IUPACN-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCCCC2)cc1=O
InChIInChI=1S/C14H20N2O2/c1-16-8-7-12(9-13(16)17)14(18)15-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,15,18)
InChIKeyHMFZVQDCTDKAST-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds3

About N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 113221304) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID113221304
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCCCC2)cc1=O
InChIInChI=1S/C14H20N2O2/c1-16-8-7-12(9-13(16)17)14(18)15-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,15,18)
InChIKeyHMFZVQDCTDKAST-UHFFFAOYSA-N
XLogP1.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
CID 103793623
1-methyl-2-oxo-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 103793639
1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 113263742
N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 71993216
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate
CID 55995595

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 113221304) is N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCC2CCCCC2)cc1=O.
What is the InChIKey of N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is HMFZVQDCTDKAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-8-7-12(9-13(16)17)14(18)15-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,15,18).
What are the key properties of N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 113221304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).