N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide

C19H15F2N3O — CID 113037492

IUPACN-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)cn2)cc1
InChIInChI=1S/C19H15F2N3O/c1-12-5-7-13(8-6-12)19(25)24-17-10-9-14(11-22-17)23-18-15(20)3-2-4-16(18)21/h2-11,23H,1H3,(H,22,24,25)
InChIKeyDWDWPJONELNYSO-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.66
Rot. Bonds4

About N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide

N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide (PubChem CID 113037492) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
PubChem CID113037492
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)cn2)cc1
InChIInChI=1S/C19H15F2N3O/c1-12-5-7-13(8-6-12)19(25)24-17-10-9-14(11-22-17)23-18-15(20)3-2-4-16(18)21/h2-11,23H,1H3,(H,22,24,25)
InChIKeyDWDWPJONELNYSO-UHFFFAOYSA-N
XLogP4.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037485
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
CID 113032990
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
CID 113030264
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide (CID 113037492) is N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)cn2)cc1.
What is the InChIKey of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is DWDWPJONELNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-12-5-7-13(8-6-12)19(25)24-17-10-9-14(11-22-17)23-18-15(20)3-2-4-16(18)21/h2-11,23H,1H3,(H,22,24,25).
What are the key properties of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide?
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 339.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113037492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).