5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C20H17F2N3O2 — CID 109234458

IUPAC5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C20H17F2N3O2/c1-27-17-5-2-13(3-6-17)10-24-20(26)14-8-16(12-23-11-14)25-19-7-4-15(21)9-18(19)22/h2-9,11-12,25H,10H2,1H3,(H,24,26)
InChIKeyLKOSTDCBPJGIHD-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.04
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234458) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234458
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C20H17F2N3O2/c1-27-17-5-2-13(3-6-17)10-24-20(26)14-8-16(12-23-11-14)25-19-7-4-15(21)9-18(19)22/h2-9,11-12,25H,10H2,1H3,(H,24,26)
InChIKeyLKOSTDCBPJGIHD-UHFFFAOYSA-N
XLogP4.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide 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

5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
N-(2,4-difluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234559
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234458) is 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(Nc3ccc(F)cc3F)c2)cc1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LKOSTDCBPJGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-27-17-5-2-13(3-6-17)10-24-20(26)14-8-16(12-23-11-14)25-19-7-4-15(21)9-18(19)22/h2-9,11-12,25H,10H2,1H3,(H,24,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).