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

C20H18FN3O — CID 109242702

IUPACN-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3cccc(F)c3)c2)c(C)c1
InChIInChI=1S/C20H18FN3O/c1-13-6-7-19(14(2)8-13)24-20(25)15-9-18(12-22-11-15)23-17-5-3-4-16(21)10-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyOYXRMBBCBYANFS-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109242702) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
PubChem CID109242702
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3cccc(F)c3)c2)c(C)c1
InChIInChI=1S/C20H18FN3O/c1-13-6-7-19(14(2)8-13)24-20(25)15-9-18(12-22-11-15)23-17-5-3-4-16(21)10-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyOYXRMBBCBYANFS-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-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109245646
N-(3-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245541
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242833
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide (CID 109242702) is N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3cccc(F)c3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is OYXRMBBCBYANFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-6-7-19(14(2)8-13)24-20(25)15-9-18(12-22-11-15)23-17-5-3-4-16(21)10-17/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-(3-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-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).