6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid

C19H15N3O3 — CID 178112071

IUPAC6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid
SMILESC=Cc1cnc(-c2ccccc2)n(Cc2ccc(C(=O)O)cn2)c1=O
InChIInChI=1S/C19H15N3O3/c1-2-13-10-21-17(14-6-4-3-5-7-14)22(18(13)23)12-16-9-8-15(11-20-16)19(24)25/h2-11H,1,12H2,(H,24,25)
InChIKeyCWSBHYMTLNHKTR-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.69
Rot. Bonds5

About 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid

6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 178112071) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid
PubChem CID178112071
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid
SMILESC=Cc1cnc(-c2ccccc2)n(Cc2ccc(C(=O)O)cn2)c1=O
InChIInChI=1S/C19H15N3O3/c1-2-13-10-21-17(14-6-4-3-5-7-14)22(18(13)23)12-16-9-8-15(11-20-16)19(24)25/h2-11H,1,12H2,(H,24,25)
InChIKeyCWSBHYMTLNHKTR-UHFFFAOYSA-N
XLogP2.69
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid (CID 178112071) is 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid is C=Cc1cnc(-c2ccccc2)n(Cc2ccc(C(=O)O)cn2)c1=O.
What is the InChIKey of 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is CWSBHYMTLNHKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-13-10-21-17(14-6-4-3-5-7-14)22(18(13)23)12-16-9-8-15(11-20-16)19(24)25/h2-11H,1,12H2,(H,24,25).
What are the key properties of 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid?
6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethenyl-6-oxo-2-phenylpyrimidin-1-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 178112071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).