2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid

C16H16N2O4 — CID 171514158

IUPAC2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCOc1cc(-c2cccc(C)c2)cnc1C(=O)NCC(=O)O
InChIInChI=1S/C16H16N2O4/c1-10-4-3-5-11(6-10)12-7-13(22-2)15(17-8-12)16(21)18-9-14(19)20/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYBUVZALHEKWVOB-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.88
Rot. Bonds5

About 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 171514158) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID171514158
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCOc1cc(-c2cccc(C)c2)cnc1C(=O)NCC(=O)O
InChIInChI=1S/C16H16N2O4/c1-10-4-3-5-11(6-10)12-7-13(22-2)15(17-8-12)16(21)18-9-14(19)20/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYBUVZALHEKWVOB-UHFFFAOYSA-N
XLogP1.88
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid
CID 155287372
2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid
CID 151435518
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 136516074
2-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]acetic acid
CID 51065004
2-[(2,6-difluorobenzoyl)amino]acetic acid;[difluoro-[4-methoxy-2-[(3-methylphenyl)methyl]-3-pyridinyl]methyl]phosphane;ethane
CID 177030018

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid (CID 171514158) is 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid is COc1cc(-c2cccc(C)c2)cnc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is YBUVZALHEKWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-4-3-5-11(6-10)12-7-13(22-2)15(17-8-12)16(21)18-9-14(19)20/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 171514158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).