N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide

C22H22FN3O2 — CID 109214230

IUPACN-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NCCc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C22H22FN3O2/c1-2-28-20-9-7-18(8-10-20)26-22(27)21-15-19(12-14-25-21)24-13-11-16-3-5-17(23)6-4-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyPCRFEHDYMGYGHE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.53
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide

N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214230) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214230
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NCCc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C22H22FN3O2/c1-2-28-20-9-7-18(8-10-20)26-22(27)21-15-19(12-14-25-21)24-13-11-16-3-5-17(23)6-4-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyPCRFEHDYMGYGHE-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-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-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214623
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214209
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide (CID 109214230) is N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cc(NCCc3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is PCRFEHDYMGYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-28-20-9-7-18(8-10-20)26-22(27)21-15-19(12-14-25-21)24-13-11-16-3-5-17(23)6-4-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).