3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide

C12H17N3O3 — CID 80707403

IUPAC3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccncc1O
InChIInChI=1S/C12H17N3O3/c1-3-5-14-11(17)8(2)15-12(18)9-4-6-13-7-10(9)16/h4,6-8,16H,3,5H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKWVVXKRGKQPONL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.43
Rot. Bonds5

About 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide

3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide (PubChem CID 80707403) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
PubChem CID80707403
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccncc1O
InChIInChI=1S/C12H17N3O3/c1-3-5-14-11(17)8(2)15-12(18)9-4-6-13-7-10(9)16/h4,6-8,16H,3,5H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKWVVXKRGKQPONL-UHFFFAOYSA-N
XLogP0.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide 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

N-hexan-3-yl-3-hydroxypyridine-4-carboxamide
CID 81442686
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 114300849
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 81445583
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 81442678
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide (CID 80707403) is 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide is CCCNC(=O)C(C)NC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is KWVVXKRGKQPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-5-14-11(17)8(2)15-12(18)9-4-6-13-7-10(9)16/h4,6-8,16H,3,5H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 80707403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).