3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide

C15H16FN3O2 — CID 104741689

IUPAC3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)c1ncccc1N
InChIInChI=1S/C15H16FN3O2/c1-19(15(20)14-13(17)6-3-7-18-14)8-9-21-12-5-2-4-11(16)10-12/h2-7,10H,8-9,17H2,1H3
InChIKeyJXJKWVPNYDGHKN-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide

3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 104741689) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID104741689
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)c1ncccc1N
InChIInChI=1S/C15H16FN3O2/c1-19(15(20)14-13(17)6-3-7-18-14)8-9-21-12-5-2-4-11(16)10-12/h2-7,10H,8-9,17H2,1H3
InChIKeyJXJKWVPNYDGHKN-UHFFFAOYSA-N
XLogP1.95
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-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

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 61063132
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
CID 18136300
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 71982058
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 122159861

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide (CID 104741689) is 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide is CN(CCOc1cccc(F)c1)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is JXJKWVPNYDGHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-19(15(20)14-13(17)6-3-7-18-14)8-9-21-12-5-2-4-11(16)10-12/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104741689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).