3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide

C19H18N2O4 — CID 158007162

IUPAC3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCC(=O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O
InChIInChI=1S/C19H18N2O4/c1-2-15(22)13-21-19(24)18-17(23)11-14(12-20-18)7-6-10-25-16-8-4-3-5-9-16/h3-5,8-9,11-12,23H,2,10,13H2,1H3,(H,21,24)
InChIKeyKEYZHFWPXJYVNI-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.93
Rot. Bonds6

About 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide

3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 158007162) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID158007162
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCC(=O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O
InChIInChI=1S/C19H18N2O4/c1-2-15(22)13-21-19(24)18-17(23)11-14(12-20-18)7-6-10-25-16-8-4-3-5-9-16/h3-5,8-9,11-12,23H,2,10,13H2,1H3,(H,21,24)
InChIKeyKEYZHFWPXJYVNI-UHFFFAOYSA-N
XLogP1.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-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

2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
CID 146522303
2-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 129027096
2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027272
2-[[3-hydroxy-5-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 162646726
5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 129027199
2-[(3-hydroxy-5-phenoxypyridine-2-carbonyl)amino]acetic acid
CID 134204800
propan-2-yl 2-[[5-[3-(4-cyanophenoxy)prop-1-ynyl]-3-nitrosopyridine-2-carbonyl]amino]acetate
CID 146523005
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
2-[[3-hydroxy-5-[2-[3-[4-(methylcarbamoyl)phenoxy]azetidin-3-yl]ethynyl]pyridine-2-carbonyl]amino]acetic acid
CID 169088441
N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339674

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide (CID 158007162) is 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide is CCC(=O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O.
What is the InChIKey of 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is KEYZHFWPXJYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-15(22)13-21-19(24)18-17(23)11-14(12-20-18)7-6-10-25-16-8-4-3-5-9-16/h3-5,8-9,11-12,23H,2,10,13H2,1H3,(H,21,24).
What are the key properties of 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide?
3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 158007162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).