6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide

C20H17ClFN3O — CID 109156302

IUPAC6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)19-10-7-15(12-23-19)20(26)24-16-8-9-18(22)17(21)11-16/h2-12H,13H2,1H3,(H,24,26)
InChIKeyGUXRRHXIFJMEQL-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.76
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide

6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109156302) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
PubChem CID109156302
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)19-10-7-15(12-23-19)20(26)24-16-8-9-18(22)17(21)11-16/h2-12H,13H2,1H3,(H,24,26)
InChIKeyGUXRRHXIFJMEQL-UHFFFAOYSA-N
XLogP4.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109156294
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171589
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide (CID 109156302) is 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GUXRRHXIFJMEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)19-10-7-15(12-23-19)20(26)24-16-8-9-18(22)17(21)11-16/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).