N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide

C18H14FN3O2 — CID 5213441

IUPACN-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide
SMILESNc1cc(NC(=O)c2ccncc2)cc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H14FN3O2/c19-13-1-3-16(4-2-13)24-17-10-14(20)9-15(11-17)22-18(23)12-5-7-21-8-6-12/h1-11H,20H2,(H,22,23)
InChIKeyFJMGZXAIFXCYGM-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.85
Rot. Bonds4

About N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide

N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide (PubChem CID 5213441) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide
PubChem CID5213441
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide
SMILESNc1cc(NC(=O)c2ccncc2)cc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H14FN3O2/c19-13-1-3-16(4-2-13)24-17-10-14(20)9-15(11-17)22-18(23)12-5-7-21-8-6-12/h1-11H,20H2,(H,22,23)
InChIKeyFJMGZXAIFXCYGM-UHFFFAOYSA-N
XLogP3.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-amino-5-(4-fluorophenoxy)phenyl]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

N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-(3-amino-5-fluorophenyl)-4-methoxybenzamide
CID 107333930
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide (CID 5213441) is N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide is Nc1cc(NC(=O)c2ccncc2)cc(Oc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is FJMGZXAIFXCYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-13-1-3-16(4-2-13)24-17-10-14(20)9-15(11-17)22-18(23)12-5-7-21-8-6-12/h1-11H,20H2,(H,22,23).
What are the key properties of N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide?
N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5213441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).