N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide

C14H20N2O3 — CID 55082507

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2(CO)CCCCC2)cc1=O
InChIInChI=1S/C14H20N2O3/c1-16-8-5-11(9-12(16)18)13(19)15-14(10-17)6-3-2-4-7-14/h5,8-9,17H,2-4,6-7,10H2,1H3,(H,15,19)
InChIKeyXYQQABOOTWVKIR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.81
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 55082507) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID55082507
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2(CO)CCCCC2)cc1=O
InChIInChI=1S/C14H20N2O3/c1-16-8-5-11(9-12(16)18)13(19)15-14(10-17)6-3-2-4-7-14/h5,8-9,17H,2-4,6-7,10H2,1H3,(H,15,19)
InChIKeyXYQQABOOTWVKIR-UHFFFAOYSA-N
XLogP0.81
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 55082507) is N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2(CO)CCCCC2)cc1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is XYQQABOOTWVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-8-5-11(9-12(16)18)13(19)15-14(10-17)6-3-2-4-7-14/h5,8-9,17H,2-4,6-7,10H2,1H3,(H,15,19).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 55082507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).