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

C21H20FN3O3 — CID 109174963

IUPACN-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)Nc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-18-6-8-19(9-7-18)28-13-12-24-20-14-15(10-11-23-20)21(26)25-17-4-2-16(22)3-5-17/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyKZXPEAWJUFVTGE-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.97
Rot. Bonds8

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

N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide (PubChem CID 109174963) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
PubChem CID109174963
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)Nc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-18-6-8-19(9-7-18)28-13-12-24-20-14-15(10-11-23-20)21(26)25-17-4-2-16(22)3-5-17/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyKZXPEAWJUFVTGE-UHFFFAOYSA-N
XLogP3.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]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-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109174968
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
N,N-diethyl-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174710
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide (CID 109174963) is N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide is COc1ccc(OCCNc2cc(C(=O)Nc3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide?
The InChIKey is KZXPEAWJUFVTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-18-6-8-19(9-7-18)28-13-12-24-20-14-15(10-11-23-20)21(26)25-17-4-2-16(22)3-5-17/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide?
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109174963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).