4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid

C13H15ClN2O3 — CID 103094698

IUPAC4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ncccc2Cl)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-2-1-7-15-11(10)16-12(17)8-3-5-9(6-4-8)13(18)19/h1-2,7-9H,3-6H2,(H,18,19)(H,15,16,17)
InChIKeyLTTZNOIZDDFKCX-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.56
Rot. Bonds3

About 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 103094698) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID103094698
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ncccc2Cl)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-2-1-7-15-11(10)16-12(17)8-3-5-9(6-4-8)13(18)19/h1-2,7-9H,3-6H2,(H,18,19)(H,15,16,17)
InChIKeyLTTZNOIZDDFKCX-UHFFFAOYSA-N
XLogP2.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
CID 89458374
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103094263
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 103943582
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 103094698) is 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ncccc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LTTZNOIZDDFKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-2-1-7-15-11(10)16-12(17)8-3-5-9(6-4-8)13(18)19/h1-2,7-9H,3-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103094698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).