3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid

C17H13N3O3 — CID 90424217

IUPAC3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid
SMILESCc1c(-c2cnc(-c3ccccc3)nc2)ccn(C(=O)O)c1=O
InChIInChI=1S/C17H13N3O3/c1-11-14(7-8-20(16(11)21)17(22)23)13-9-18-15(19-10-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23)
InChIKeyYYMPYSMYBAWCMR-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.81
Rot. Bonds2

About 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid

3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid (PubChem CID 90424217) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid
PubChem CID90424217
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid
SMILESCc1c(-c2cnc(-c3ccccc3)nc2)ccn(C(=O)O)c1=O
InChIInChI=1S/C17H13N3O3/c1-11-14(7-8-20(16(11)21)17(22)23)13-9-18-15(19-10-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23)
InChIKeyYYMPYSMYBAWCMR-UHFFFAOYSA-N
XLogP2.81
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid (CID 90424217) is 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid is Cc1c(-c2cnc(-c3ccccc3)nc2)ccn(C(=O)O)c1=O.
What is the InChIKey of 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid?
The InChIKey is YYMPYSMYBAWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-11-14(7-8-20(16(11)21)17(22)23)13-9-18-15(19-10-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23).
What are the key properties of 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid?
3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid is sourced from PubChem (CID 90424217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).