4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid

C19H16Cl2N2O2 — CID 67851052

IUPAC4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cc(Cl)cc(Cl)c2)C(c2cccnc2)=C(C)N1
InChIInChI=1S/C19H16Cl2N2O2/c1-10-16(12-4-3-5-22-9-12)18(17(19(24)25)11(2)23-10)13-6-14(20)8-15(21)7-13/h3-9,18,23H,1-2H3,(H,24,25)
InChIKeySISWTCHHJWEJKT-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.86
Rot. Bonds3

About 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid

4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 67851052) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid
PubChem CID67851052
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cc(Cl)cc(Cl)c2)C(c2cccnc2)=C(C)N1
InChIInChI=1S/C19H16Cl2N2O2/c1-10-16(12-4-3-5-22-9-12)18(17(19(24)25)11(2)23-10)13-6-14(20)8-15(21)7-13/h3-9,18,23H,1-2H3,(H,24,25)
InChIKeySISWTCHHJWEJKT-UHFFFAOYSA-N
XLogP4.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid (CID 67851052) is 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid is CC1=C(C(=O)O)C(c2cc(Cl)cc(Cl)c2)C(c2cccnc2)=C(C)N1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is SISWTCHHJWEJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-10-16(12-4-3-5-22-9-12)18(17(19(24)25)11(2)23-10)13-6-14(20)8-15(21)7-13/h3-9,18,23H,1-2H3,(H,24,25).
What are the key properties of 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid?
4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 375.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 67851052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).