2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid

C13H12N2O3 — CID 70131440

IUPAC2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
SMILESNc1c(CC(=O)O)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H12N2O3/c14-12-9(7-11(16)17)6-10(15-13(12)18)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,18)(H,16,17)
InChIKeyIPABKIDNLYHICU-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid

2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid (PubChem CID 70131440) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
PubChem CID70131440
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
SMILESNc1c(CC(=O)O)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H12N2O3/c14-12-9(7-11(16)17)6-10(15-13(12)18)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,18)(H,16,17)
InChIKeyIPABKIDNLYHICU-UHFFFAOYSA-N
XLogP1.25
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid
CID 133095787
3-amino-6-phenyl-1H-pyridin-2-one
CID 22405493
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 90822779
3-chloro-6-phenyl-1H-pyridin-2-one
CID 130883515
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 54187003
2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid
CID 131870512
methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate
CID 57229167
3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 165352282

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid?
The IUPAC name of 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid (CID 70131440) is 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid?
The canonical SMILES for 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid is Nc1c(CC(=O)O)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid?
The InChIKey is IPABKIDNLYHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-12-9(7-11(16)17)6-10(15-13(12)18)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid?
2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid is sourced from PubChem (CID 70131440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).