5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid

C20H17NO3 — CID 172775159

IUPAC5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid
SMILESCc1cc(C(c2ccccc2)c2ccccc2)cn(C(=O)O)c1=O
InChIInChI=1S/C20H17NO3/c1-14-12-17(13-21(19(14)22)20(23)24)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3,(H,23,24)
InChIKeyNMKNMASKASZCCE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.86
Rot. Bonds3

About 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid

5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid (PubChem CID 172775159) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid
PubChem CID172775159
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid
SMILESCc1cc(C(c2ccccc2)c2ccccc2)cn(C(=O)O)c1=O
InChIInChI=1S/C20H17NO3/c1-14-12-17(13-21(19(14)22)20(23)24)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3,(H,23,24)
InChIKeyNMKNMASKASZCCE-UHFFFAOYSA-N
XLogP3.86
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid (CID 172775159) is 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid is Cc1cc(C(c2ccccc2)c2ccccc2)cn(C(=O)O)c1=O.
What is the InChIKey of 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid?
The InChIKey is NMKNMASKASZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-12-17(13-21(19(14)22)20(23)24)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3,(H,23,24).
What are the key properties of 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid?
5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 172775159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).