methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate

C22H19N3O2 — CID 135398339

IUPACmethyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccccc2)C(C#N)(C#N)C1c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-15-18(21(26)27-2)19(16-9-5-3-6-10-16)22(13-23,14-24)20(25-15)17-11-7-4-8-12-17/h3-12,19-20,25H,1-2H3
InChIKeySAZKCZIRUDLGCN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.60
Rot. Bonds3

About methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate

methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 135398339) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID135398339
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Namemethyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccccc2)C(C#N)(C#N)C1c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-15-18(21(26)27-2)19(16-9-5-3-6-10-16)22(13-23,14-24)20(25-15)17-11-7-4-8-12-17/h3-12,19-20,25H,1-2H3
InChIKeySAZKCZIRUDLGCN-UHFFFAOYSA-N
XLogP3.60
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-amino-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
CID 3481945
methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 102473078
methyl (4RS,6SR)-5,5-dicyano-4,6-bis(4-fluorophenyl)-2-methyl-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 135398368
methyl 6-phenyl-4-[(E)-2-phenylethenyl]-2-(propylamino)cyclohexa-1,3-diene-1-carboxylate
CID 56600428
methyl 2-(2-methylpropylamino)-6-phenyl-4-[(E)-2-phenylethenyl]cyclohexa-1,3-diene-1-carboxylate
CID 101547415
methyl 2-(benzylamino)-6-phenyl-4-[(E)-2-phenylethenyl]cyclohexa-1,3-diene-1-carboxylate
CID 101547417
Methyl 3-cyano-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 13313723
3-Cyano-4,6-diphenyl-5-ethoxycarbonyl-3,4-dihydropyridin-2-one
CID 12550737
methyl (2S,6R)-1-butyl-4-(butylamino)-2,6-bis(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25135838
Methyl 1-butyl-4-(butylamino)-2,6-dip-tolyl-1,2,5,6-tetra hydropyridine-3-carboxylate
CID 74392354
ethyl 2-(benzylamino)-6-phenyl-4-[(E)-2-phenylethenyl]cyclohexa-1,3-diene-1-carboxylate
CID 101547419
methyl 2-(butylamino)-6-phenyl-4-[(E)-2-phenylethenyl]cyclohexa-1,3-diene-1-carboxylate
CID 101547420

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate (CID 135398339) is methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(c2ccccc2)C(C#N)(C#N)C1c1ccccc1.
What is the InChIKey of methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is SAZKCZIRUDLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-18(21(26)27-2)19(16-9-5-3-6-10-16)22(13-23,14-24)20(25-15)17-11-7-4-8-12-17/h3-12,19-20,25H,1-2H3.
What are the key properties of methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate?
methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dicyano-6-methyl-2,4-diphenyl-2,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 135398339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).