2-(pentylcarbamoyl)pyridine-3-carboxylic acid

C12H16N2O3 — CID 63614748

IUPAC2-(pentylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCCCCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-3-4-7-14-11(15)10-9(12(16)17)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUVHHZUYFDOIZKC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.70
Rot. Bonds6

About 2-(pentylcarbamoyl)pyridine-3-carboxylic acid

2-(pentylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63614748) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(pentylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(pentylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63614748
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(pentylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCCCCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-3-4-7-14-11(15)10-9(12(16)17)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUVHHZUYFDOIZKC-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073

Frequently Asked Questions

What is the IUPAC name of 2-(pentylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(pentylcarbamoyl)pyridine-3-carboxylic acid (CID 63614748) is 2-(pentylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(pentylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(pentylcarbamoyl)pyridine-3-carboxylic acid is CCCCCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(pentylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is UVHHZUYFDOIZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-4-7-14-11(15)10-9(12(16)17)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(pentylcarbamoyl)pyridine-3-carboxylic acid?
2-(pentylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).