1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid

C15H19ClN2O3 — CID 62240588

IUPAC1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2cccc(Cl)n2)(C(=O)O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-10-6-8-15(9-7-10,14(20)21)18-13(19)11-4-3-5-12(16)17-11/h3-5,10H,2,6-9H2,1H3,(H,18,19)(H,20,21)
InChIKeySRRMSUAWSLBPRS-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.89
Rot. Bonds4

About 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid

1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 62240588) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID62240588
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2cccc(Cl)n2)(C(=O)O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-10-6-8-15(9-7-10,14(20)21)18-13(19)11-4-3-5-12(16)17-11/h3-5,10H,2,6-9H2,1H3,(H,18,19)(H,20,21)
InChIKeySRRMSUAWSLBPRS-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.89
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]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid (CID 62240588) is 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2cccc(Cl)n2)(C(=O)O)CC1.
What is the InChIKey of 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is SRRMSUAWSLBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-10-6-8-15(9-7-10,14(20)21)18-13(19)11-4-3-5-12(16)17-11/h3-5,10H,2,6-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.89, 4 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]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 62240588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).