2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

C21H20FN3O2 — CID 109172768

IUPAC2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-3-2-5-15(19)9-12-24-21(26)16-10-11-23-20(13-16)25-18-7-4-6-17(22)14-18/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyXGNUGRHVSSYGCY-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.95
Rot. Bonds7

About 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172768) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172768
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-3-2-5-15(19)9-12-24-21(26)16-10-11-23-20(13-16)25-18-7-4-6-17(22)14-18/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyXGNUGRHVSSYGCY-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-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

2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746
2-(2,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172748
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
2-(4-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172763
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
4-N-(3-fluorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895100
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109172768) is 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccccc1CCNC(=O)c1ccnc(Nc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XGNUGRHVSSYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-8-3-2-5-15(19)9-12-24-21(26)16-10-11-23-20(13-16)25-18-7-4-6-17(22)14-18/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).