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

C20H17Cl2N3O — CID 109211114

IUPAC4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H17Cl2N3O/c1-25(13-14-5-3-2-4-6-14)16-9-10-23-19(12-16)20(26)24-18-8-7-15(21)11-17(18)22/h2-12H,13H2,1H3,(H,24,26)
InChIKeyAMBIXRXZPBYPBA-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.28
Rot. Bonds5

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

4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 109211114) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID109211114
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H17Cl2N3O/c1-25(13-14-5-3-2-4-6-14)16-9-10-23-19(12-16)20(26)24-18-8-7-15(21)11-17(18)22/h2-12H,13H2,1H3,(H,24,26)
InChIKeyAMBIXRXZPBYPBA-UHFFFAOYSA-N
XLogP5.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109211074
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
N-(1,3-benzodioxol-5-yl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211107
N-benzyl-4-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109210988
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
CID 75463659

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide (CID 109211114) is 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide is CN(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is AMBIXRXZPBYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-25(13-14-5-3-2-4-6-14)16-9-10-23-19(12-16)20(26)24-18-8-7-15(21)11-17(18)22/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide?
4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.28, 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-(2,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109211114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).