1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

C14H22F3N3O — CID 102719358

IUPAC1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCCCNc1cc(C(F)(F)F)cc(NCC(O)CCC)n1
InChIInChI=1S/C14H22F3N3O/c1-3-5-11(21)9-19-13-8-10(14(15,16)17)7-12(20-13)18-6-4-2/h7-8,11,21H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyWNHXHBVYPFVGQC-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.50
Rot. Bonds8

About 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 102719358) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
PubChem CID102719358
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCCCNc1cc(C(F)(F)F)cc(NCC(O)CCC)n1
InChIInChI=1S/C14H22F3N3O/c1-3-5-11(21)9-19-13-8-10(14(15,16)17)7-12(20-13)18-6-4-2/h7-8,11,21H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyWNHXHBVYPFVGQC-UHFFFAOYSA-N
XLogP3.50
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (CID 102719358) is 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is CCCNc1cc(C(F)(F)F)cc(NCC(O)CCC)n1.
What is the InChIKey of 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is WNHXHBVYPFVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-3-5-11(21)9-19-13-8-10(14(15,16)17)7-12(20-13)18-6-4-2/h7-8,11,21H,3-6,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 305.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 102719358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).