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

C15H16ClN3O2 — CID 4067100

IUPAC4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccc(Cl)cc2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C15H16ClN3O2/c1-7-11(14(17)20)13(9-3-5-10(16)6-4-9)12(15(18)21)8(2)19-7/h3-6,13,19H,1-2H3,(H2,17,20)(H2,18,21)
InChIKeyQUXMLICLYCGYIL-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.55
Rot. Bonds3

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

4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 4067100) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID4067100
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccc(Cl)cc2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C15H16ClN3O2/c1-7-11(14(17)20)13(9-3-5-10(16)6-4-9)12(15(18)21)8(2)19-7/h3-6,13,19H,1-2H3,(H2,17,20)(H2,18,21)
InChIKeyQUXMLICLYCGYIL-UHFFFAOYSA-N
XLogP1.55
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 4067100) is 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(N)=O)C(c2ccc(Cl)cc2)C(C(N)=O)=C(C)N1.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is QUXMLICLYCGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-7-11(14(17)20)13(9-3-5-10(16)6-4-9)12(15(18)21)8(2)19-7/h3-6,13,19H,1-2H3,(H2,17,20)(H2,18,21).
What are the key properties of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.55, 3 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-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 4067100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).