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

C13H19N3O — CID 113399112

IUPAC2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCc1cnc(N2CC3CCC(O)C3C2)cc1N
InChIInChI=1S/C13H19N3O/c1-8-5-15-13(4-11(8)14)16-6-9-2-3-12(17)10(9)7-16/h4-5,9-10,12,17H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyAXOUHOZNKDCOCF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds1

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

2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399112) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399112
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCc1cnc(N2CC3CCC(O)C3C2)cc1N
InChIInChI=1S/C13H19N3O/c1-8-5-15-13(4-11(8)14)16-6-9-2-3-12(17)10(9)7-16/h4-5,9-10,12,17H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyAXOUHOZNKDCOCF-UHFFFAOYSA-N
XLogP1.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399112) is 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Cc1cnc(N2CC3CCC(O)C3C2)cc1N.
What is the InChIKey of 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is AXOUHOZNKDCOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-5-15-13(4-11(8)14)16-6-9-2-3-12(17)10(9)7-16/h4-5,9-10,12,17H,2-3,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 233.31 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).