N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide

C14H19N3O2 — CID 108524992

IUPACN-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
SMILESCC1CCCCC1NC(=O)C(=O)Nc1ccccn1
InChIInChI=1S/C14H19N3O2/c1-10-6-2-3-7-11(10)16-13(18)14(19)17-12-8-4-5-9-15-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyCCLGRZMJDCCYIM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds2

About N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide

N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide (PubChem CID 108524992) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
PubChem CID108524992
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
SMILESCC1CCCCC1NC(=O)C(=O)Nc1ccccn1
InChIInChI=1S/C14H19N3O2/c1-10-6-2-3-7-11(10)16-13(18)14(19)17-12-8-4-5-9-15-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyCCLGRZMJDCCYIM-UHFFFAOYSA-N
XLogP1.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
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

N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
CID 124605766
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
N-(2-methylcyclohexyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500534
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598
N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
CID 94027180
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide
CID 94193234
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108525006

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide?
The IUPAC name of N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide (CID 108524992) is N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide is CC1CCCCC1NC(=O)C(=O)Nc1ccccn1.
What is the InChIKey of N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide?
The InChIKey is CCLGRZMJDCCYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-6-2-3-7-11(10)16-13(18)14(19)17-12-8-4-5-9-15-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide?
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide has a molecular weight of 261.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide is sourced from PubChem (CID 108524992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).