1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid

C18H17NO2 — CID 142766569

IUPAC1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CC=CN(c2ccccc2)C1
InChIInChI=1S/C18H17NO2/c20-17(21)18(15-8-3-1-4-9-15)12-7-13-19(14-18)16-10-5-2-6-11-16/h1-11,13H,12,14H2,(H,20,21)
InChIKeyQDJPDTDZRQKHAN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.43
Rot. Bonds3

About 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid

1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid (PubChem CID 142766569) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid
PubChem CID142766569
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CC=CN(c2ccccc2)C1
InChIInChI=1S/C18H17NO2/c20-17(21)18(15-8-3-1-4-9-15)12-7-13-19(14-18)16-10-5-2-6-11-16/h1-11,13H,12,14H2,(H,20,21)
InChIKeyQDJPDTDZRQKHAN-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid (CID 142766569) is 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid is O=C(O)C1(c2ccccc2)CC=CN(c2ccccc2)C1.
What is the InChIKey of 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid?
The InChIKey is QDJPDTDZRQKHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17(21)18(15-8-3-1-4-9-15)12-7-13-19(14-18)16-10-5-2-6-11-16/h1-11,13H,12,14H2,(H,20,21).
What are the key properties of 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid?
1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 142766569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).