N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide

C20H17ClFN3O — CID 109156385

IUPACN-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)20(26)15-7-10-19(23-12-15)24-16-8-9-18(22)17(21)11-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyISHMSPPNCAVKHS-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.89
Rot. Bonds5

About N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide

N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109156385) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
PubChem CID109156385
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)20(26)15-7-10-19(23-12-15)24-16-8-9-18(22)17(21)11-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyISHMSPPNCAVKHS-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233093
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 109156302
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide (CID 109156385) is N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is ISHMSPPNCAVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)20(26)15-7-10-19(23-12-15)24-16-8-9-18(22)17(21)11-16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109156385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).