N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide

C13H17N3O2 — CID 2890708

IUPACN'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NC1CCCC1
InChIInChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18)
InChIKeyUNZKMRJPKZCKQO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.76
Rot. Bonds3

About N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide

N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2890708) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2890708
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NC1CCCC1
InChIInChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18)
InChIKeyUNZKMRJPKZCKQO-UHFFFAOYSA-N
XLogP0.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-Acetamidopyridine
CID 79978
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
1-Cyclohexyl-3-pyridin-3-ylurea
CID 721806
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
Caerulomycin H
CID 53484026
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
(1S)-1-(pyridin-2-yl)ethan-1-amine
CID 1084917

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide (CID 2890708) is N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is UNZKMRJPKZCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18).
What are the key properties of N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide?
N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 247.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2890708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).