N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide

C14H16N2O — CID 71168215

IUPACN-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2=CCCC=N2)cc1
InChIInChI=1S/C14H16N2O/c1-2-11-6-8-12(9-7-11)14(17)16-13-5-3-4-10-15-13/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyDBDHLNBBDMXSMS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.68
Rot. Bonds3

About N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide

N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide (PubChem CID 71168215) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide
PubChem CID71168215
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2=CCCC=N2)cc1
InChIInChI=1S/C14H16N2O/c1-2-11-6-8-12(9-7-11)14(17)16-13-5-3-4-10-15-13/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyDBDHLNBBDMXSMS-UHFFFAOYSA-N
XLogP2.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide
CID 90878232
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-(4-ethylphenyl)benzamide
CID 774063
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-ethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953458
N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide
CID 144544369
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide?
The IUPAC name of N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide (CID 71168215) is N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide?
The canonical SMILES for N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC2=CCCC=N2)cc1.
What is the InChIKey of N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide?
The InChIKey is DBDHLNBBDMXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-11-6-8-12(9-7-11)14(17)16-13-5-3-4-10-15-13/h5-10H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide?
N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide has a molecular weight of 228.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide is sourced from PubChem (CID 71168215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).