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

C22H30N2O — CID 142913406

IUPAC2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide;molecular hydrogen
SMILESCC1=CC(NC(=O)C2=CC(C)C(C3=CCCC=CC3)N=C2)=CCC1C.[H][H]
InChIInChI=1S/C22H28N2O.H2/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);1H
InChIKeyZNZHBFJEIITSEK-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.90
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;molecular hydrogen

2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide;molecular hydrogen (PubChem CID 142913406) has the molecular formula C22H30N2O and a molecular weight of 338.50 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 hydrogen.

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;molecular hydrogen
PubChem CID142913406
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide;molecular hydrogen
SMILESCC1=CC(NC(=O)C2=CC(C)C(C3=CCCC=CC3)N=C2)=CCC1C.[H][H]
InChIInChI=1S/C22H28N2O.H2/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);1H
InChIKeyZNZHBFJEIITSEK-UHFFFAOYSA-N
XLogP4.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(5Z)-5-ethylidene-6-propan-2-ylidene-N-[(Z,3S)-1,1,1-trifluoro-3-methyl-5-[(Z)-prop-1-enyl]oct-5-en-3-yl]pyridine-3-carboxamide
CID 142543488
(5Z)-5-ethylidene-6-propan-2-ylidene-N-[(Z,3S)-1,1,1-trifluoro-3-methyl-5-[(Z)-prop-1-enyl]oct-5-en-3-yl]pyridine-3-carboxamide
CID 142543489
6-[[(6S)-3,6-dimethyl-5-(methylideneamino)cyclohex-2-en-1-yl]methyl]-5-methyl-1H-pyridin-2-one
CID 68308847
N-(4-methylpentan-2-yl)-8H-cyclohepta[c]pyridine-3-carboxamide
CID 141971720
butane;(E)-N-[(2E,4Z)-6-(2,3-dimethyl-2,3-dihydropyridin-5-yl)-4-[(Z)-1-ethenylprop-1-enyl]hepta-2,4,6-trien-2-yl]-2-methanimidoylbut-2-enamide;ethane
CID 142583890
ethane;5-[[hexyl(methyl)amino]methyl]-N-[(5Z)-6-methylidene-5-prop-2-enylidene-3-pyridinyl]cyclohepta-1,4,6-triene-1-carboxamide
CID 142929702
(E)-N-[[4-(2-cyclohepta-1,3,5-trien-1-ylethylamino)cyclohexyl]methyl]-2-(methyliminomethyl)but-2-enamide;ethane
CID 143092703
(3E)-6-ethenyl-3-ethylidene-4-[(E)-3-methylbut-1-enyl]imino-5-propan-2-yl-1H-pyridin-2-one
CID 170077573
(E)-N-[(2E,4Z)-6-(2,3-dimethyl-2,3-dihydropyridin-5-yl)-4-[(Z)-1-ethenylprop-1-enyl]hepta-2,4,6-trien-2-yl]-2-methanimidoylbut-2-enamide
CID 142583891
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
5-[[hexyl(methyl)amino]methyl]-N-[(5Z)-6-methylidene-5-prop-2-enylidene-3-pyridinyl]cyclohepta-1,4,6-triene-1-carboxamide
CID 142929703
(E)-N-[[4-(2-cyclohepta-1,3,5-trien-1-ylethylamino)cyclohexyl]methyl]-2-(methyliminomethyl)but-2-enamide
CID 143092704

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;molecular hydrogen?
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;molecular hydrogen (CID 142913406) 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 hydrogen.
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;molecular hydrogen?
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;molecular hydrogen is CC1=CC(NC(=O)C2=CC(C)C(C3=CCCC=CC3)N=C2)=CCC1C.[H][H].
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;molecular hydrogen?
The InChIKey is ZNZHBFJEIITSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.H2/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);1H.
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;molecular hydrogen?
2-cyclohepta-1,5-dien-1-yl-N-(4,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methyl-2,3-dihydropyridine-5-carboxamide;molecular hydrogen has a molecular weight of 338.50 g/mol, XLogP of 4.90, 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;molecular hydrogen is sourced from PubChem (CID 142913406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).