3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

C12H16F3N3O — CID 102718808

IUPAC3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCNc1cc(C(F)(F)F)cc(NCC2CC(O)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-10-4-8(12(13,14)15)5-11(18-10)17-6-7-2-9(19)3-7/h4-5,7,9,19H,2-3,6H2,1H3,(H2,16,17,18)
InChIKeyNYWOVMDEPVKZMP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.32
Rot. Bonds4

About 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 102718808) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID102718808
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCNc1cc(C(F)(F)F)cc(NCC2CC(O)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-10-4-8(12(13,14)15)5-11(18-10)17-6-7-2-9(19)3-7/h4-5,7,9,19H,2-3,6H2,1H3,(H2,16,17,18)
InChIKeyNYWOVMDEPVKZMP-UHFFFAOYSA-N
XLogP2.32
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[5-(Trifluoromethyl)-2-pyridinyl]amino}-2-propanol
CID 2985764
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 96353122
(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol
CID 99703929
(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 164631782
4-[[5-(Trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 57508125
2-[(6-Fluoro-4-propan-2-yl-2-pyridinyl)amino]ethanol
CID 68062956
2-[(6-Fluoro-4-methyl-2-pyridinyl)amino]ethanol
CID 68084188
4-[[6-Amino-4-[(3,3-difluoropiperidin-1-yl)methyl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 68233508
2-Chloro-6-[(4-hydroxy-2-methylbutyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87564354
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol
CID 91501232
6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 91801736

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 102718808) is 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is CNc1cc(C(F)(F)F)cc(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is NYWOVMDEPVKZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-10-4-8(12(13,14)15)5-11(18-10)17-6-7-2-9(19)3-7/h4-5,7,9,19H,2-3,6H2,1H3,(H2,16,17,18).
What are the key properties of 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 275.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 102718808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).