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

C21H20ClN3O — CID 109211074

IUPAC4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C21H20ClN3O/c1-15-12-17(22)8-9-19(15)24-21(26)20-13-18(10-11-23-20)25(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyRPSPRRMMRLFPOH-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.93
Rot. Bonds5

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

4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109211074) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID109211074
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C21H20ClN3O/c1-15-12-17(22)8-9-19(15)24-21(26)20-13-18(10-11-23-20)25(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyRPSPRRMMRLFPOH-UHFFFAOYSA-N
XLogP4.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
N-(1,3-benzodioxol-5-yl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211107
N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109215100
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207368

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 109211074) is 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(N(C)Cc2ccccc2)ccn1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is RPSPRRMMRLFPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15-12-17(22)8-9-19(15)24-21(26)20-13-18(10-11-23-20)25(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109211074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).