2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

C19H18N2O5 — CID 129027272

IUPAC2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESCc1cccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)c1C
InChIInChI=1S/C19H18N2O5/c1-12-5-3-7-16(13(12)2)26-8-4-6-14-9-15(22)18(20-10-14)19(25)21-11-17(23)24/h3,5,7,9-10,22H,8,11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyOAQNHOGJOBLVRP-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.65
Rot. Bonds5

About 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (PubChem CID 129027272) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
PubChem CID129027272
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESCc1cccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)c1C
InChIInChI=1S/C19H18N2O5/c1-12-5-3-7-16(13(12)2)26-8-4-6-14-9-15(22)18(20-10-14)19(25)21-11-17(23)24/h3,5,7,9-10,22H,8,11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyOAQNHOGJOBLVRP-UHFFFAOYSA-N
XLogP1.65
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic 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

2-[[3-hydroxy-5-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 162646726
2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
2-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 129027199
3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
CID 158007162
5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 129027096
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
CID 146522303
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134204791
2-[(3-hydroxy-5-phenoxypyridine-2-carbonyl)amino]acetic acid
CID 134204800
2-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11322699
2-[[5-(3-fluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134472428

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (CID 129027272) is 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is Cc1cccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)c1C.
What is the InChIKey of 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The InChIKey is OAQNHOGJOBLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-5-3-7-16(13(12)2)26-8-4-6-14-9-15(22)18(20-10-14)19(25)21-11-17(23)24/h3,5,7,9-10,22H,8,11H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid has a molecular weight of 354.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 129027272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).