2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid

C18H16N2O6 — CID 129027316

IUPAC2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
SMILESCOc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C18H16N2O6/c1-25-13-4-6-14(7-5-13)26-8-2-3-12-9-15(21)17(19-10-12)18(24)20-11-16(22)23/h4-7,9-10,21H,8,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyKDLONTSSTQPRHF-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.04
Rot. Bonds6

About 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 129027316) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID129027316
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
SMILESCOc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C18H16N2O6/c1-25-13-4-6-14(7-5-13)26-8-2-3-12-9-15(21)17(19-10-12)18(24)20-11-16(22)23/h4-7,9-10,21H,8,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyKDLONTSSTQPRHF-UHFFFAOYSA-N
XLogP1.04
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-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-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
CID 158007162
2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027272
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-[[3-hydroxy-5-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 162646726
2-[[3-hydroxy-5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]pyridine-2-carbonyl]amino]acetic acid
CID 175268871
2-[[3-hydroxy-5-[2-[3-[4-(methylcarbamoyl)phenoxy]azetidin-3-yl]ethynyl]pyridine-2-carbonyl]amino]acetic acid
CID 169088441
2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
2-[(3-hydroxy-5-phenoxypyridine-2-carbonyl)amino]acetic acid
CID 134204800
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
2-[[5-[2-[1-(4-chlorophenoxy)-3-methylcyclohexyl]ethynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 169088434

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid (CID 129027316) is 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid is COc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is KDLONTSSTQPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-25-13-4-6-14(7-5-13)26-8-2-3-12-9-15(21)17(19-10-12)18(24)20-11-16(22)23/h4-7,9-10,21H,8,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 356.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 129027316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).