5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

C21H20FN3O — CID 109233337

IUPAC5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccc(Nc2cncc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O/c1-2-15-7-9-18(10-8-15)25-19-11-17(12-23-14-19)21(26)24-13-16-5-3-4-6-20(16)22/h3-12,14,25H,2,13H2,1H3,(H,24,26)
InChIKeyXTPDJDWAIMFYKA-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.46
Rot. Bonds6

About 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109233337) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109233337
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccc(Nc2cncc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O/c1-2-15-7-9-18(10-8-15)25-19-11-17(12-23-14-19)21(26)24-13-16-5-3-4-6-20(16)22/h3-12,14,25H,2,13H2,1H3,(H,24,26)
InChIKeyXTPDJDWAIMFYKA-UHFFFAOYSA-N
XLogP4.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-ethylanilino)-N-[(2-fluorophenyl)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

N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
CID 109236255
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109233337) is 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is CCc1ccc(Nc2cncc(C(=O)NCc3ccccc3F)c2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is XTPDJDWAIMFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-2-15-7-9-18(10-8-15)25-19-11-17(12-23-14-19)21(26)24-13-16-5-3-4-6-20(16)22/h3-12,14,25H,2,13H2,1H3,(H,24,26).
What are the key properties of 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109233337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).