2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide

C21H20ClN3O — CID 109170290

IUPAC2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)c1cc(C(=O)NCc2ccccc2Cl)ccn1
InChIInChI=1S/C21H20ClN3O/c1-25(15-16-7-3-2-4-8-16)20-13-17(11-12-23-20)21(26)24-14-18-9-5-6-10-19(18)22/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyWTNJGETVOPDLJO-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.30
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide

2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 109170290) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
PubChem CID109170290
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)c1cc(C(=O)NCc2ccccc2Cl)ccn1
InChIInChI=1S/C21H20ClN3O/c1-25(15-16-7-3-2-4-8-16)20-13-17(11-12-23-20)21(26)24-14-18-9-5-6-10-19(18)22/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyWTNJGETVOPDLJO-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109170353
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62288918
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (CID 109170290) is 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is CN(Cc1ccccc1)c1cc(C(=O)NCc2ccccc2Cl)ccn1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is WTNJGETVOPDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-25(15-16-7-3-2-4-8-16)20-13-17(11-12-23-20)21(26)24-14-18-9-5-6-10-19(18)22/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109170290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).