N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide

C14H18N2O — CID 123154970

IUPACN-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
SMILESCCC1=CCCC(NC(=O)C2=CCCC=N2)=C1
InChIInChI=1S/C14H18N2O/c1-2-11-6-5-7-12(10-11)16-14(17)13-8-3-4-9-15-13/h6,8-10H,2-5,7H2,1H3,(H,16,17)
InChIKeyXQILJZLLGWTRIS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds3

About N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide

N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide (PubChem CID 123154970) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
PubChem CID123154970
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
SMILESCCC1=CCCC(NC(=O)C2=CCCC=N2)=C1
InChIInChI=1S/C14H18N2O/c1-2-11-6-5-7-12(10-11)16-14(17)13-8-3-4-9-15-13/h6,8-10H,2-5,7H2,1H3,(H,16,17)
InChIKeyXQILJZLLGWTRIS-UHFFFAOYSA-N
XLogP2.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one
CID 90777470
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CID 90889194
3-methyl-5,8-dihydro-2H-2,7-naphthyridin-1-one
CID 91092802
3-methyl-5,8-dihydro-2H-2,6-naphthyridin-1-one
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ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)pyrazin-2-one
CID 143759956
Ethane;7-methyl-4,8-dihydrocyclohepta[b]pyrazin-3-one
CID 143807041
(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide
CID 144892239
6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one
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3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one
CID 168895543
3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide
CID 175519112
3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one
CID 176622736
(4Z,5Z)-4-ethylidene-N-[(E)-3-methyl-4-(propan-2-ylideneamino)but-3-en-2-yl]-5-propylidenepyridine-2-carboxamide
CID 144024722

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide?
The IUPAC name of N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide (CID 123154970) is N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide is CCC1=CCCC(NC(=O)C2=CCCC=N2)=C1.
What is the InChIKey of N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide?
The InChIKey is XQILJZLLGWTRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-11-6-5-7-12(10-11)16-14(17)13-8-3-4-9-15-13/h6,8-10H,2-5,7H2,1H3,(H,16,17).
What are the key properties of N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide?
N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide is sourced from PubChem (CID 123154970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).