N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C14H20N2O2 — CID 103764483

IUPACN-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-11(7-10)9-16-14(18)12-5-6-15-13(17)8-12/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyABVYUCPWXUYYJL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds3

About N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103764483) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103764483
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-11(7-10)9-16-14(18)12-5-6-15-13(17)8-12/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyABVYUCPWXUYYJL-UHFFFAOYSA-N
XLogP1.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylcyclohexyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765554
N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114147636
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764080
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 103764483) is N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is CC1CCCC(CNC(=O)c2cc[nH]c(=O)c2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is ABVYUCPWXUYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-2-4-11(7-10)9-16-14(18)12-5-6-15-13(17)8-12/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).