3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide

C22H18N4O — CID 69041293

IUPAC3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2C(C#N)=C(C)NC(c3ccccc3)=C2C#N)c1
InChIInChI=1S/C22H18N4O/c1-14-18(12-23)20(16-9-6-10-17(11-16)22(27)25-2)19(13-24)21(26-14)15-7-4-3-5-8-15/h3-11,20,26H,1-2H3,(H,25,27)
InChIKeyAYNQQWCUUSFDFI-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.47
Rot. Bonds3

About 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide

3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide (PubChem CID 69041293) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide
PubChem CID69041293
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2C(C#N)=C(C)NC(c3ccccc3)=C2C#N)c1
InChIInChI=1S/C22H18N4O/c1-14-18(12-23)20(16-9-6-10-17(11-16)22(27)25-2)19(13-24)21(26-14)15-7-4-3-5-8-15/h3-11,20,26H,1-2H3,(H,25,27)
InChIKeyAYNQQWCUUSFDFI-UHFFFAOYSA-N
XLogP3.47
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide?
The IUPAC name of 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide (CID 69041293) is 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide?
The canonical SMILES for 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide is CNC(=O)c1cccc(C2C(C#N)=C(C)NC(c3ccccc3)=C2C#N)c1.
What is the InChIKey of 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide?
The InChIKey is AYNQQWCUUSFDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-18(12-23)20(16-9-6-10-17(11-16)22(27)25-2)19(13-24)21(26-14)15-7-4-3-5-8-15/h3-11,20,26H,1-2H3,(H,25,27).
What are the key properties of 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide?
3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide is sourced from PubChem (CID 69041293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).