4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide

C27H24ClN3O2 — CID 991929

IUPAC4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C27H24ClN3O2/c1-17-23(26(32)30-21-9-5-3-6-10-21)25(19-13-15-20(28)16-14-19)24(18(2)29-17)27(33)31-22-11-7-4-8-12-22/h3-16,25,29H,1-2H3,(H,30,32)(H,31,33)
InChIKeyIHOWXMSIDAUFOP-UHFFFAOYSA-N
MW457.96 g/mol
LogP5.85
Rot. Bonds5

About 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide

4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 991929) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID991929
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC Name4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C27H24ClN3O2/c1-17-23(26(32)30-21-9-5-3-6-10-21)25(19-13-15-20(28)16-14-19)24(18(2)29-17)27(33)31-22-11-7-4-8-12-22/h3-16,25,29H,1-2H3,(H,30,32)(H,31,33)
InChIKeyIHOWXMSIDAUFOP-UHFFFAOYSA-N
XLogP5.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide
CID 162538002
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
4-[3,5-bis[(3-chlorophenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N-hydroxybenzeneamine oxide
CID 21141862
4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 4067100
7-(4-chlorophenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4068110
6-(2-anilino-2-oxoethyl)sulfanyl-N-(4-chlorophenyl)-5-ethynyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
CID 143690360
5-hydroxy-2-methyl-N,4-diphenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228042
(4R,7S)-4-(4-chlorophenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1340122
7-(4-chlorophenyl)-5-methyl-3-N-(4-methylphenyl)-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551130
2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 10650657
5-hydroxy-4-(4-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228043
4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228045

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 991929) is 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N1.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is IHOWXMSIDAUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-17-23(26(32)30-21-9-5-3-6-10-21)25(19-13-15-20(28)16-14-19)24(18(2)29-17)27(33)31-22-11-7-4-8-12-22/h3-16,25,29H,1-2H3,(H,30,32)(H,31,33).
What are the key properties of 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 457.96 g/mol, XLogP of 5.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 991929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).