6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide

C14H20N4O2 — CID 106909365

IUPAC6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CN2CC3CCC(O)C3C2)n1
InChIInChI=1S/C14H20N4O2/c15-17-14(20)12-3-1-2-10(16-12)7-18-6-9-4-5-13(19)11(9)8-18/h1-3,9,11,13,19H,4-8,15H2,(H,17,20)
InChIKeyKSUGGRXTNCQRTL-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.11
Rot. Bonds3

About 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide

6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909365) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909365
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CN2CC3CCC(O)C3C2)n1
InChIInChI=1S/C14H20N4O2/c15-17-14(20)12-3-1-2-10(16-12)7-18-6-9-4-5-13(19)11(9)8-18/h1-3,9,11,13,19H,4-8,15H2,(H,17,20)
InChIKeyKSUGGRXTNCQRTL-UHFFFAOYSA-N
XLogP-0.11
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide (CID 106909365) is 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(CN2CC3CCC(O)C3C2)n1.
What is the InChIKey of 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is KSUGGRXTNCQRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-17-14(20)12-3-1-2-10(16-12)7-18-6-9-4-5-13(19)11(9)8-18/h1-3,9,11,13,19H,4-8,15H2,(H,17,20).
What are the key properties of 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide?
6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 276.34 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).