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

C13H18N2O3 — CID 62517382

IUPACN-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2(CO)CCCC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-15-7-4-10(8-11(15)17)12(18)14-13(9-16)5-2-3-6-13/h4,7-8,16H,2-3,5-6,9H2,1H3,(H,14,18)
InChIKeyGXUWEBGSESDOKS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.42
Rot. Bonds3

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

N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 62517382) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID62517382
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2(CO)CCCC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-15-7-4-10(8-11(15)17)12(18)14-13(9-16)5-2-3-6-13/h4,7-8,16H,2-3,5-6,9H2,1H3,(H,14,18)
InChIKeyGXUWEBGSESDOKS-UHFFFAOYSA-N
XLogP0.42
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 62517382) is N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2(CO)CCCC2)cc1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is GXUWEBGSESDOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-7-4-10(8-11(15)17)12(18)14-13(9-16)5-2-3-6-13/h4,7-8,16H,2-3,5-6,9H2,1H3,(H,14,18).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 62517382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).