3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid

C13H18N2O4 — CID 172748768

IUPAC3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)ccnc1C(=O)NCCCCO
InChIInChI=1S/C13H18N2O4/c1-2-9-10(13(18)19)5-7-14-11(9)12(17)15-6-3-4-8-16/h5,7,16H,2-4,6,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyKBVGNCSJTDHULW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds7

About 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid

3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 172748768) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID172748768
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)ccnc1C(=O)NCCCCO
InChIInChI=1S/C13H18N2O4/c1-2-9-10(13(18)19)5-7-14-11(9)12(17)15-6-3-4-8-16/h5,7,16H,2-4,6,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyKBVGNCSJTDHULW-UHFFFAOYSA-N
XLogP0.84
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-bromo-3-ethylpyridine-4-carboxylic acid
CID 52911016
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
2-(4-hydroxybutylcarbamoyl)-3,6-dimethylbenzoic acid
CID 106840416
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
2-(6-hydroxyhexylcarbamoyl)-3,6-dimethylbenzoic acid
CID 107846487
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
3-(4-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 106844182
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid (CID 172748768) is 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid is CCc1c(C(=O)O)ccnc1C(=O)NCCCCO.
What is the InChIKey of 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is KBVGNCSJTDHULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-9-10(13(18)19)5-7-14-11(9)12(17)15-6-3-4-8-16/h5,7,16H,2-4,6,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid?
3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-hydroxybutylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 172748768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).