[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone

C25H31F3N4O3 — CID 77426090

IUPAC[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
SMILESCOC1COCCC1NC1CCN(C(=O)c2ccnc(Nc3cccc(C(F)(F)F)c3)c2C)CC1
InChIInChI=1S/C25H31F3N4O3/c1-16-20(6-10-29-23(16)31-19-5-3-4-17(14-19)25(26,27)28)24(33)32-11-7-18(8-12-32)30-21-9-13-35-15-22(21)34-2/h3-6,10,14,18,21-22,30H,7-9,11-13,15H2,1-2H3,(H,29,31)
InChIKeyPOWNLDVPIZCEDF-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.15
Rot. Bonds6

About [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone

[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone (PubChem CID 77426090) has the molecular formula C25H31F3N4O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
PubChem CID77426090
Molecular FormulaC25H31F3N4O3
Molecular Weight492.54 g/mol
Exact Mass492.23
IUPAC Name[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
SMILESCOC1COCCC1NC1CCN(C(=O)c2ccnc(Nc3cccc(C(F)(F)F)c3)c2C)CC1
InChIInChI=1S/C25H31F3N4O3/c1-16-20(6-10-29-23(16)31-19-5-3-4-17(14-19)25(26,27)28)24(33)32-11-7-18(8-12-32)30-21-9-13-35-15-22(21)34-2/h3-6,10,14,18,21-22,30H,7-9,11-13,15H2,1-2H3,(H,29,31)
InChIKeyPOWNLDVPIZCEDF-UHFFFAOYSA-N
XLogP4.15
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone with MolForge

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Related Compounds

Incb10820
CID 50992246
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 132067922
4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11327582
6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569925
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570119
US10450297, Example 121
CID 57584580
4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86296698
3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]benzamide
CID 86297090
N-[3-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]pyridin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297092
1-ethyl-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 90409532
N-(3-(2-(ethylamino)-6-morpholinopyrimidin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide
CID 90456295

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The IUPAC name of [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone (CID 77426090) is [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone.
What is the SMILES notation for [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The canonical SMILES for [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone is COC1COCCC1NC1CCN(C(=O)c2ccnc(Nc3cccc(C(F)(F)F)c3)c2C)CC1.
What is the InChIKey of [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The InChIKey is POWNLDVPIZCEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O3/c1-16-20(6-10-29-23(16)31-19-5-3-4-17(14-19)25(26,27)28)24(33)32-11-7-18(8-12-32)30-21-9-13-35-15-22(21)34-2/h3-6,10,14,18,21-22,30H,7-9,11-13,15H2,1-2H3,(H,29,31).
What are the key properties of [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone has a molecular weight of 492.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[3-methyl-2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone is sourced from PubChem (CID 77426090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).