6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H21F3N4O3 — CID 118195076

IUPAC6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(C)(O)C2)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-3-4-15(10-27-14)19-9-16(11-28-20(19)30-12-22(2,32)13-30)21(31)29-17-5-7-18(8-6-17)33-23(24,25)26/h3-11,32H,12-13H2,1-2H3,(H,29,31)
InChIKeyMVBAUCNDHYCLIO-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.17
Rot. Bonds5

About 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195076) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195076
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(C)(O)C2)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-3-4-15(10-27-14)19-9-16(11-28-20(19)30-12-22(2,32)13-30)21(31)29-17-5-7-18(8-6-17)33-23(24,25)26/h3-11,32H,12-13H2,1-2H3,(H,29,31)
InChIKeyMVBAUCNDHYCLIO-UHFFFAOYSA-N
XLogP4.17
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)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

6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195303
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxy-3-methylazetidin-1-yl)-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 121474328
6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118195179
6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609
5-(2,6-difluoro-4-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123948489
6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919387
6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195381
6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919180
4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118919222
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919372
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919391
6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195221

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195076) is 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(C)(O)C2)cn1.
What is the InChIKey of 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is MVBAUCNDHYCLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14-3-4-15(10-27-14)19-9-16(11-28-20(19)30-12-22(2,32)13-30)21(31)29-17-5-7-18(8-6-17)33-23(24,25)26/h3-11,32H,12-13H2,1-2H3,(H,29,31).
What are the key properties of 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).