1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine

C66H92F3N21O3 — CID 160676207

IUPAC1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
SMILESCOc1cc(N)cnc1N1CCCC1.COc1cc(N2CCCC2)ncc1N.Cc1nc(N2CCCC2)ccc1N.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N3.2C10H15N3O.C10H13N3.C10H15N3.C8H11N3O.C8H11N3/c11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;1-14-9-6-8(11)7-12-10(9)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;1-8-9(11)4-5-10(12-8)13-6-2-3-7-13;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h5-6H,1-4,14H2;2*6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;4-5H,2-3,6-7,11H2,1H3;1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2
InChIKeyRNOHXLMAJWSYDQ-UHFFFAOYSA-N
MW1284.60 g/mol
LogP8.24
Rot. Bonds9

About 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine

1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 160676207) has the molecular formula C66H92F3N21O3 and a molecular weight of 1284.60 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
PubChem CID160676207
Molecular FormulaC66H92F3N21O3
Molecular Weight1284.60 g/mol
Exact Mass1283.76
IUPAC Name1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
SMILESCOc1cc(N)cnc1N1CCCC1.COc1cc(N2CCCC2)ncc1N.Cc1nc(N2CCCC2)ccc1N.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N3.2C10H15N3O.C10H13N3.C10H15N3.C8H11N3O.C8H11N3/c11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;1-14-9-6-8(11)7-12-10(9)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;1-8-9(11)4-5-10(12-8)13-6-2-3-7-13;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h5-6H,1-4,14H2;2*6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;4-5H,2-3,6-7,11H2,1H3;1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2
InChIKeyRNOHXLMAJWSYDQ-UHFFFAOYSA-N
XLogP8.24
TPSA333.74 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms93
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001284.60
LogP ≤ 58.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (CID 160676207) is 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine is COc1cc(N)cnc1N1CCCC1.COc1cc(N2CCCC2)ncc1N.Cc1nc(N2CCCC2)ccc1N.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is RNOHXLMAJWSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.2C10H15N3O.C10H13N3.C10H15N3.C8H11N3O.C8H11N3/c11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;1-14-9-6-8(11)7-12-10(9)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;1-8-9(11)4-5-10(12-8)13-6-2-3-7-13;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h5-6H,1-4,14H2;2*6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;4-5H,2-3,6-7,11H2,1H3;1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2.
What are the key properties of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine has a molecular weight of 1284.60 g/mol, XLogP of 8.24, 9 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 160676207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).