2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H18F3N3O — CID 102719155

IUPAC2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1
InChIInChI=1S/C14H18F3N3O/c1-18-12-4-9(14(15,16)17)5-13(19-12)20-6-8-2-3-11(21)10(8)7-20/h4-5,8,10-11,21H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyMAGHZCJWTZZWRO-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.35
Rot. Bonds2

About 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 102719155) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID102719155
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1
InChIInChI=1S/C14H18F3N3O/c1-18-12-4-9(14(15,16)17)5-13(19-12)20-6-8-2-3-11(21)10(8)7-20/h4-5,8,10-11,21H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyMAGHZCJWTZZWRO-UHFFFAOYSA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 102719155) is 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1.
What is the InChIKey of 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is MAGHZCJWTZZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-18-12-4-9(14(15,16)17)5-13(19-12)20-6-8-2-3-11(21)10(8)7-20/h4-5,8,10-11,21H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 301.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 102719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).