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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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).