2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid

C14H12N2O3 — CID 174602842

IUPAC2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NC=Cc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H12N2O3/c17-13-12(14(18)19)11(7-9-16-13)15-8-6-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H2,15,16,17)
InChIKeyDOOSZUZDGPWXLZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.16
Rot. Bonds4

About 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid

2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid (PubChem CID 174602842) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid
PubChem CID174602842
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NC=Cc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H12N2O3/c17-13-12(14(18)19)11(7-9-16-13)15-8-6-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H2,15,16,17)
InChIKeyDOOSZUZDGPWXLZ-UHFFFAOYSA-N
XLogP2.16
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethenylamino)benzoic acid
CID 69497392
2-phenylethenylcarbamic acid
CID 151881054
N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide
CID 70073340
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
N-(2-phenylethenyl)acetamide
CID 54032077
2-(2-phenylethenylamino)prop-2-enoic acid
CID 57353567
acetic acid;stilbene
CID 172803728
2-fluoro-N-(2-phenylethenyl)acetamide
CID 174418037
1-anilino-5-phenylpenta-1,4-dien-3-one
CID 3796923
CID 68656245
CID 68656245
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid (CID 174602842) is 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid is O=C(O)c1c(NC=Cc2ccccc2)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid?
The InChIKey is DOOSZUZDGPWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13-12(14(18)19)11(7-9-16-13)15-8-6-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H2,15,16,17).
What are the key properties of 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid?
2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 174602842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).