2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide

C21H20ClN3O — CID 109170820

IUPAC2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-2-25(18-9-4-3-5-10-18)21(26)16-12-13-23-20(14-16)24-15-17-8-6-7-11-19(17)22/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyOGRCVJASJFJMJW-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.01
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide

2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide (PubChem CID 109170820) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
PubChem CID109170820
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-2-25(18-9-4-3-5-10-18)21(26)16-12-13-23-20(14-16)24-15-17-8-6-7-11-19(17)22/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyOGRCVJASJFJMJW-UHFFFAOYSA-N
XLogP5.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109170542
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170839
2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109176932
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
2-N-tert-butyl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109089266
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170821
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170790

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide (CID 109170820) is 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide is CCN(C(=O)c1ccnc(NCc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide?
The InChIKey is OGRCVJASJFJMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-25(18-9-4-3-5-10-18)21(26)16-12-13-23-20(14-16)24-15-17-8-6-7-11-19(17)22/h3-14H,2,15H2,1H3,(H,23,24).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 109170820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).