N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide

C21H24N2O — CID 14182204

IUPACN-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCCN1CCC(c2ccccc2)=C(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H24N2O/c1-2-23-14-13-19(18-11-7-4-8-12-18)20(16-23)21(24)22-15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,22,24)
InChIKeyWPPJYDQTHMDJCP-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide

N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide (PubChem CID 14182204) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide
PubChem CID14182204
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCCN1CCC(c2ccccc2)=C(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H24N2O/c1-2-23-14-13-19(18-11-7-4-8-12-18)20(16-23)21(24)22-15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,22,24)
InChIKeyWPPJYDQTHMDJCP-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylcarbamoyl)cyclohexene-1-carboxylic acid
CID 4990695
3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575027
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691472
methyl 1-ethyl-4-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 14182227
ethyl 1-benzyl-4-[4-(dimethylamino)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691430
1-benzyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 110952590
ethyl 1-benzyl-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691520
5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97442621
N-benzyl-3-(2-methylpropyl)-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277930
N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075973
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide (CID 14182204) is N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide is CCN1CCC(c2ccccc2)=C(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is WPPJYDQTHMDJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-23-14-13-19(18-11-7-4-8-12-18)20(16-23)21(24)22-15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,22,24).
What are the key properties of N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide?
N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 14182204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).