N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide

C19H15ClFN3O — CID 112830348

IUPACN-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C19H15ClFN3O/c1-24(15-5-3-2-4-6-15)18-10-7-13(12-22-18)19(25)23-17-9-8-14(21)11-16(17)20/h2-12H,1H3,(H,23,25)
InChIKeyXDDKPGSIIOPIKZ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.89
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide

N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112830348) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112830348
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C19H15ClFN3O/c1-24(15-5-3-2-4-6-15)18-10-7-13(12-22-18)19(25)23-17-9-8-14(21)11-16(17)20/h2-12H,1H3,(H,23,25)
InChIKeyXDDKPGSIIOPIKZ-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431
N-(2,4-difluorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197711
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
N-(2-chloro-4-fluorophenyl)-4-(2-phenylethynyl)benzamide
CID 24534991
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide (CID 112830348) is N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide is CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is XDDKPGSIIOPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-24(15-5-3-2-4-6-15)18-10-7-13(12-22-18)19(25)23-17-9-8-14(21)11-16(17)20/h2-12H,1H3,(H,23,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112830348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).