2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide

C22H28N2O — CID 142913407

IUPAC2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide
SMILESCC1=CC(NC(=O)C2=CC(C)C(C3=CCCC=CC3)N=C2)=CCC1C
InChIInChI=1S/C22H28N2O/c1-15-10-11-20(13-16(15)2)24-22(25)19-12-17(3)21(23-14-19)18-8-6-4-5-7-9-18/h4,6,9,11-15,17,21H,5,7-8,10H2,1-3H3,(H,24,25)
InChIKeyDCSQWSDGGBVZCO-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.65
Rot. Bonds3

About 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide

2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide (PubChem CID 142913407) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide
PubChem CID142913407
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide
SMILESCC1=CC(NC(=O)C2=CC(C)C(C3=CCCC=CC3)N=C2)=CCC1C
InChIInChI=1S/C22H28N2O/c1-15-10-11-20(13-16(15)2)24-22(25)19-12-17(3)21(23-14-19)18-8-6-4-5-7-9-18/h4,6,9,11-15,17,21H,5,7-8,10H2,1-3H3,(H,24,25)
InChIKeyDCSQWSDGGBVZCO-UHFFFAOYSA-N
XLogP4.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide?
The IUPAC name of 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide (CID 142913407) is 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide?
The canonical SMILES for 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide is CC1=CC(NC(=O)C2=CC(C)C(C3=CCCC=CC3)N=C2)=CCC1C.
What is the InChIKey of 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide?
The InChIKey is DCSQWSDGGBVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-15-10-11-20(13-16(15)2)24-22(25)19-12-17(3)21(23-14-19)18-8-6-4-5-7-9-18/h4,6,9,11-15,17,21H,5,7-8,10H2,1-3H3,(H,24,25).
What are the key properties of 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide?
2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 142913407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).