2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

C20H17F2N3O — CID 109169816

IUPAC2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C20H17F2N3O/c1-13-3-2-4-14(9-13)12-24-20(26)15-7-8-23-19(10-15)25-18-6-5-16(21)11-17(18)22/h2-11H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRMYYWHHEIUKPOM-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.34
Rot. Bonds5

About 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109169816) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109169816
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C20H17F2N3O/c1-13-3-2-4-14(9-13)12-24-20(26)15-7-8-23-19(10-15)25-18-6-5-16(21)11-17(18)22/h2-11H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRMYYWHHEIUKPOM-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169821
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176722
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
2-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170627
6-N-(2,4-difluorophenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097480
2-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176898
N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109169793
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (CID 109169816) is 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(Nc3ccc(F)cc3F)c2)c1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is RMYYWHHEIUKPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13-3-2-4-14(9-13)12-24-20(26)15-7-8-23-19(10-15)25-18-6-5-16(21)11-17(18)22/h2-11H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109169816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).