N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide

C20H18FN3O — CID 109242899

IUPACN-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3F)c2)cc1C
InChIInChI=1S/C20H18FN3O/c1-13-7-8-16(9-14(13)2)24-20(25)15-10-17(12-22-11-15)23-19-6-4-3-5-18(19)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyDRDDJCIHCFUCLC-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109242899) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
PubChem CID109242899
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3F)c2)cc1C
InChIInChI=1S/C20H18FN3O/c1-13-7-8-16(9-14(13)2)24-20(25)15-10-17(12-22-11-15)23-19-6-4-3-5-18(19)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyDRDDJCIHCFUCLC-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
5-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244174
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242952
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide (CID 109242899) is N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccccc3F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is DRDDJCIHCFUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-7-8-16(9-14(13)2)24-20(25)15-10-17(12-22-11-15)23-19-6-4-3-5-18(19)21/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).