4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid

C15H22N2O4 — CID 81438999

IUPAC4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC(=O)c1ccncc1O)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)11(3-4-14(19)20)5-8-17-15(21)12-6-7-16-9-13(12)18/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDOEQZSGAVPBYEY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.04
Rot. Bonds8

About 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid

4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid (PubChem CID 81438999) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid
PubChem CID81438999
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC(=O)c1ccncc1O)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)11(3-4-14(19)20)5-8-17-15(21)12-6-7-16-9-13(12)18/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDOEQZSGAVPBYEY-UHFFFAOYSA-N
XLogP2.04
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
CID 106286387
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
CID 81443627
3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 80707403

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid (CID 81438999) is 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid is CC(C)C(CCNC(=O)c1ccncc1O)CCC(=O)O.
What is the InChIKey of 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid?
The InChIKey is DOEQZSGAVPBYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)11(3-4-14(19)20)5-8-17-15(21)12-6-7-16-9-13(12)18/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid?
4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 81438999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).