N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide

C17H16F3N3O2 — CID 3258243

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)16(24)22-14-5-6-15(21-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)
InChIKeyNCHNSVPJGRZHAO-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.19
Rot. Bonds3

About N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide

N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 3258243) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID3258243
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)16(24)22-14-5-6-15(21-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)
InChIKeyNCHNSVPJGRZHAO-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide (CID 3258243) is N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is NCHNSVPJGRZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)16(24)22-14-5-6-15(21-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 351.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3258243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).