N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

C20H18FN3O — CID 109243122

IUPACN-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN3O/c1-13-4-3-5-14(2)19(13)24-20(25)15-10-18(12-22-11-15)23-17-8-6-16(21)7-9-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyZKYFUIUZTGHIRO-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

About N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109243122) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID109243122
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN3O/c1-13-4-3-5-14(2)19(13)24-20(25)15-10-18(12-22-11-15)23-17-8-6-16(21)7-9-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyZKYFUIUZTGHIRO-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

N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693
methyl 3-[[5-(4-fluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244328
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109241555
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
N-(3,5-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244351
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (CID 109243122) is N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cncc(Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is ZKYFUIUZTGHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-4-3-5-14(2)19(13)24-20(25)15-10-18(12-22-11-15)23-17-8-6-16(21)7-9-17/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-5-(4-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-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).