1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C14H17ClN2O3 — CID 62239913

IUPAC1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1cccc(Cl)n1)C(=O)O
InChIInChI=1S/C14H17ClN2O3/c1-9-5-2-3-8-14(9,13(19)20)17-12(18)10-6-4-7-11(15)16-10/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyHVPPZWADJWPQIS-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.50
Rot. Bonds3

About 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 62239913) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID62239913
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1cccc(Cl)n1)C(=O)O
InChIInChI=1S/C14H17ClN2O3/c1-9-5-2-3-8-14(9,13(19)20)17-12(18)10-6-4-7-11(15)16-10/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyHVPPZWADJWPQIS-UHFFFAOYSA-N
XLogP2.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 62239913) is 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)c1cccc(Cl)n1)C(=O)O.
What is the InChIKey of 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is HVPPZWADJWPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-5-2-3-8-14(9,13(19)20)17-12(18)10-6-4-7-11(15)16-10/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 62239913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).