N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide

C23H24ClN3O — CID 109190728

IUPACN-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C23H24ClN3O/c1-2-27(17-19-7-4-3-5-8-19)23(28)22-12-11-21(16-26-22)25-14-13-18-9-6-10-20(24)15-18/h3-12,15-16,25H,2,13-14,17H2,1H3
InChIKeyLUUNHGAUHIIGGD-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.05
Rot. Bonds8

About N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide

N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide (PubChem CID 109190728) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
PubChem CID109190728
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC NameN-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C23H24ClN3O/c1-2-27(17-19-7-4-3-5-8-19)23(28)22-12-11-21(16-26-22)25-14-13-18-9-6-10-20(24)15-18/h3-12,15-16,25H,2,13-14,17H2,1H3
InChIKeyLUUNHGAUHIIGGD-UHFFFAOYSA-N
XLogP5.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109190707
N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
N-benzyl-N-ethyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109190713
N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189383
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109190788
N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide (CID 109190728) is N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide?
The InChIKey is LUUNHGAUHIIGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-2-27(17-19-7-4-3-5-8-19)23(28)22-12-11-21(16-26-22)25-14-13-18-9-6-10-20(24)15-18/h3-12,15-16,25H,2,13-14,17H2,1H3.
What are the key properties of N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide?
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109190728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).