2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid

C16H22N2O4 — CID 122055071

IUPAC2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C16H22N2O4/c19-15(14-11-12(16(20)21)7-9-17-14)18-8-4-10-22-13-5-2-1-3-6-13/h7,9,11,13H,1-6,8,10H2,(H,18,19)(H,20,21)
InChIKeyFDRONUXTDIBFJP-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.25
Rot. Bonds7

About 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid

2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 122055071) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID122055071
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C16H22N2O4/c19-15(14-11-12(16(20)21)7-9-17-14)18-8-4-10-22-13-5-2-1-3-6-13/h7,9,11,13H,1-6,8,10H2,(H,18,19)(H,20,21)
InChIKeyFDRONUXTDIBFJP-UHFFFAOYSA-N
XLogP2.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055811
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 24516413
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 74233551

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid (CID 122055071) is 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)NCCCOC2CCCCC2)c1.
What is the InChIKey of 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is FDRONUXTDIBFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15(14-11-12(16(20)21)7-9-17-14)18-8-4-10-22-13-5-2-1-3-6-13/h7,9,11,13H,1-6,8,10H2,(H,18,19)(H,20,21).
What are the key properties of 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid?
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).