3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide

C17H18F3N3O4 — CID 122516944

IUPAC3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide
SMILESNCc1cc(Oc2cccc(C(=O)NC[C@@H](O)CO)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O4/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24/h1-6,12,24-25H,7-9,21H2,(H,22,26)/t12-/m1/s1
InChIKeySONNQRNOTIAJDS-GFCCVEGCSA-N
MW385.34 g/mol
LogP1.43
Rot. Bonds7

About 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide

3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide (PubChem CID 122516944) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide
PubChem CID122516944
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide
SMILESNCc1cc(Oc2cccc(C(=O)NC[C@@H](O)CO)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O4/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24/h1-6,12,24-25H,7-9,21H2,(H,22,26)/t12-/m1/s1
InChIKeySONNQRNOTIAJDS-GFCCVEGCSA-N
XLogP1.43
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide 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

Pat-1251
CID 122536283
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579
(4S)-4-[(1R)-1-hydroxy-2-[[1-(3-propan-2-ylphenyl)cyclopropyl]amino]ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.16,10]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
CID 46191766
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 122516185
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-methoxybenzamide;hydrochloride
CID 122516830
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylbenzamide;hydrochloride
CID 122516959
[3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 132253032
PAT-1251 Hydrochloride
CID 132253084
[3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride
CID 132253106
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride
CID 132253144
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-[(2R)-2,3-dihydroxypropyl]benzamide;hydrochloride
CID 132253151
(4S)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.16,10]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
CID 46225154

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide?
The IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide (CID 122516944) is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide?
The canonical SMILES for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide is NCc1cc(Oc2cccc(C(=O)NC[C@@H](O)CO)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide?
The InChIKey is SONNQRNOTIAJDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24/h1-6,12,24-25H,7-9,21H2,(H,22,26)/t12-/m1/s1.
What are the key properties of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide?
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide has a molecular weight of 385.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[(2R)-2,3-dihydroxypropyl]benzamide is sourced from PubChem (CID 122516944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).