N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C23H21F3N4O2 — CID 86297691

IUPACN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H21F3N4O2/c1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h2-6,11-14H,7-10H2,1H3,(H,29,31)
InChIKeyITCUYRPGRFYIBZ-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.56
Rot. Bonds4

About N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 86297691) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID86297691
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H21F3N4O2/c1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h2-6,11-14H,7-10H2,1H3,(H,29,31)
InChIKeyITCUYRPGRFYIBZ-UHFFFAOYSA-N
XLogP4.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(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-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 86297691) is N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ITCUYRPGRFYIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h2-6,11-14H,7-10H2,1H3,(H,29,31).
What are the key properties of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 442.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86297691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).