5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide

C21H20ClN3O — CID 109193694

IUPAC5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-25(19-5-3-2-4-6-19)21(26)20-12-11-18(15-24-20)23-14-13-16-7-9-17(22)10-8-16/h2-12,15,23H,13-14H2,1H3
InChIKeyHHXDKYZLJFVHFE-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.67
Rot. Bonds6

About 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide

5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109193694) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109193694
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-25(19-5-3-2-4-6-19)21(26)20-12-11-18(15-24-20)23-14-13-16-7-9-17(22)10-8-16/h2-12,15,23H,13-14H2,1H3
InChIKeyHHXDKYZLJFVHFE-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide (CID 109193694) is 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide is CN(C(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1)c1ccccc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is HHXDKYZLJFVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-25(19-5-3-2-4-6-19)21(26)20-12-11-18(15-24-20)23-14-13-16-7-9-17(22)10-8-16/h2-12,15,23H,13-14H2,1H3.
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109193694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).