2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide

C14H20N2O3 — CID 167980554

IUPAC2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC2(CO)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H20N2O3/c1-2-11-7-10(8-12(18)15-11)13(19)16-14(9-17)5-3-4-6-14/h7-8,17H,2-6,9H2,1H3,(H,15,18)(H,16,19)
InChIKeyVNQIXPQOKQZSRS-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.97
Rot. Bonds4

About 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide

2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 167980554) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID167980554
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC2(CO)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H20N2O3/c1-2-11-7-10(8-12(18)15-11)13(19)16-14(9-17)5-3-4-6-14/h7-8,17H,2-6,9H2,1H3,(H,15,18)(H,16,19)
InChIKeyVNQIXPQOKQZSRS-UHFFFAOYSA-N
XLogP0.97
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide (CID 167980554) is 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NC2(CO)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is VNQIXPQOKQZSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-11-7-10(8-12(18)15-11)13(19)16-14(9-17)5-3-4-6-14/h7-8,17H,2-6,9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide?
2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 167980554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).