6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H18F3N3O2 — CID 118714431

IUPAC6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-5-15(6-3-14)23-17(25)13-1-4-16(22-11-13)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)
InChIKeyXBOWIOGPGPNTHP-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.18
Rot. Bonds4

About 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118714431) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID118714431
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-5-15(6-3-14)23-17(25)13-1-4-16(22-11-13)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)
InChIKeyXBOWIOGPGPNTHP-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-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

Niaprazine
CID 71919
Kx2-361
CID 11545920
Srpin340
CID 2797577
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide;hydrochloride
CID 45484302
3-[4-(Morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
CID 132277783
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-(1',2-dimethyl-5'-morpholino-6'-oxo-1',6'-dihydro-[3,3'-bipyridin]-5-yl)-2-(trifluoromethyl)isonicotinamide
CID 117609603
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
Parp1-IN-7
CID 126602424
4-[4-[(1R)-3-(3-fluoro-5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
CID 126602436

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118714431) is 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)nc1.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XBOWIOGPGPNTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-5-15(6-3-14)23-17(25)13-1-4-16(22-11-13)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25).
What are the key properties of 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118714431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).