4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C19H21F3N4O — CID 90067501

IUPAC4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCN(C4COC4)CC3)ccn2)c1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-2-6-24-18(10-15)25-17-9-14(1-5-23-17)13-3-7-26(8-4-13)16-11-27-12-16/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12H2,(H,23,24,25)
InChIKeyXDAWBBXXUVILET-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.82
Rot. Bonds4

About 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 90067501) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID90067501
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCN(C4COC4)CC3)ccn2)c1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-2-6-24-18(10-15)25-17-9-14(1-5-23-17)13-3-7-26(8-4-13)16-11-27-12-16/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12H2,(H,23,24,25)
InChIKeyXDAWBBXXUVILET-UHFFFAOYSA-N
XLogP3.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
CID 90067642
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
2-[[6-cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 90067590
N-[4-(1,1-difluoroethyl)-2-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)azetidin-3-yl]pyridin-2-amine
CID 163555024
4-[1-(2-fluoroethyl)piperidin-4-yl]-6-[(2R)-2-methylpyrrolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90032623
2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
CID 122368046
2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134434319
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56947353
6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 134293594
2-hydroxy-1-[3-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740118
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 90067501) is 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccnc(Nc2cc(C3CCN(C4COC4)CC3)ccn2)c1.
What is the InChIKey of 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is XDAWBBXXUVILET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)15-2-6-24-18(10-15)25-17-9-14(1-5-23-17)13-3-7-26(8-4-13)16-11-27-12-16/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12H2,(H,23,24,25).
What are the key properties of 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 378.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 90067501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).