N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide

C22H26F3N3O3 — CID 58731842

IUPACN-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(OC(F)(F)F)c2)ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C22H26F3N3O3/c1-14(2)18-11-20(28-16-4-3-5-17(10-16)31-22(23,24)25)26-13-19(18)21(29)27-12-15-6-8-30-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLUOFVKBOUMXOBO-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.00
Rot. Bonds7

About N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide

N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide (PubChem CID 58731842) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
PubChem CID58731842
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC NameN-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(OC(F)(F)F)c2)ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C22H26F3N3O3/c1-14(2)18-11-20(28-16-4-3-5-17(10-16)31-22(23,24)25)26-13-19(18)21(29)27-12-15-6-8-30-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLUOFVKBOUMXOBO-UHFFFAOYSA-N
XLogP5.00
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]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-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
6-(4-fluoro-3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731720
6-[2-bromo-4-(trifluoromethoxy)anilino]-N-(cyclobutylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731844
6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731811
6-(3-chloro-4-cyanoanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570015
6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide
CID 24739686
6-(2-chloro-5-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731732
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343
4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 143086586
6-[2-bromo-4-(trifluoromethoxy)anilino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843529
6-[(3,7-dichlorocyclohepta-1,6-dien-1-yl)amino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 142877799
6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 69371491

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide (CID 58731842) is N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide is CC(C)c1cc(Nc2cccc(OC(F)(F)F)c2)ncc1C(=O)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is LUOFVKBOUMXOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-14(2)18-11-20(28-16-4-3-5-17(10-16)31-22(23,24)25)26-13-19(18)21(29)27-12-15-6-8-30-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 58731842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).