5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide

C22H22FN3O2 — CID 59730229

IUPAC5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
SMILESCc1cccc(CCNCc2ccc(Oc3ccc(C(N)=O)nc3)c(F)c2)c1
InChIInChI=1S/C22H22FN3O2/c1-15-3-2-4-16(11-15)9-10-25-13-17-5-8-21(19(23)12-17)28-18-6-7-20(22(24)27)26-14-18/h2-8,11-12,14,25H,9-10,13H2,1H3,(H2,24,27)
InChIKeyGNWRDJUNXHNFCG-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.75
Rot. Bonds8

About 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide

5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide (PubChem CID 59730229) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
PubChem CID59730229
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
SMILESCc1cccc(CCNCc2ccc(Oc3ccc(C(N)=O)nc3)c(F)c2)c1
InChIInChI=1S/C22H22FN3O2/c1-15-3-2-4-16(11-15)9-10-25-13-17-5-8-21(19(23)12-17)28-18-6-7-20(22(24)27)26-14-18/h2-8,11-12,14,25H,9-10,13H2,1H3,(H2,24,27)
InChIKeyGNWRDJUNXHNFCG-UHFFFAOYSA-N
XLogP3.75
TPSA77.24 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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 59730177
5-[2-methyl-4-[(octylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 142876363
N-[[4-[[6-(1-aminoethenyl)-3-pyridinyl]oxy]-3-fluorophenyl]methyl]-3,3-dimethylbutan-1-amine
CID 89054552
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730219
5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730314
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide (CID 59730229) is 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide is Cc1cccc(CCNCc2ccc(Oc3ccc(C(N)=O)nc3)c(F)c2)c1.
What is the InChIKey of 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is GNWRDJUNXHNFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-3-2-4-16(11-15)9-10-25-13-17-5-8-21(19(23)12-17)28-18-6-7-20(22(24)27)26-14-18/h2-8,11-12,14,25H,9-10,13H2,1H3,(H2,24,27).
What are the key properties of 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide?
5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 59730229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).