2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid

C19H16N2O4 — CID 67112836

IUPAC2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccncc2)C(C(=O)O)=C(c2ccccc2)N1
InChIInChI=1S/C19H16N2O4/c1-11-14(18(22)23)15(12-7-9-20-10-8-12)16(19(24)25)17(21-11)13-5-3-2-4-6-13/h2-10,15,21H,1H3,(H,22,23)(H,24,25)
InChIKeyWLAXUKSJBJQVLE-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid

2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 67112836) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid
PubChem CID67112836
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccncc2)C(C(=O)O)=C(c2ccccc2)N1
InChIInChI=1S/C19H16N2O4/c1-11-14(18(22)23)15(12-7-9-20-10-8-12)16(19(24)25)17(21-11)13-5-3-2-4-6-13/h2-10,15,21H,1H3,(H,22,23)(H,24,25)
InChIKeyWLAXUKSJBJQVLE-UHFFFAOYSA-N
XLogP2.62
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid (CID 67112836) is 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2ccncc2)C(C(=O)O)=C(c2ccccc2)N1.
What is the InChIKey of 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is WLAXUKSJBJQVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-14(18(22)23)15(12-7-9-20-10-8-12)16(19(24)25)17(21-11)13-5-3-2-4-6-13/h2-10,15,21H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid?
2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 67112836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).