6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide

C12H18N4O — CID 114540991

IUPAC6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2cccc(NN)n2)C1
InChIInChI=1S/C12H18N4O/c1-8-5-6-9(7-8)14-12(17)10-3-2-4-11(15-10)16-13/h2-4,8-9H,5-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyKSZDUTSYGVNYGN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds3

About 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide

6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide (PubChem CID 114540991) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide
PubChem CID114540991
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2cccc(NN)n2)C1
InChIInChI=1S/C12H18N4O/c1-8-5-6-9(7-8)14-12(17)10-3-2-4-11(15-10)16-13/h2-4,8-9H,5-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyKSZDUTSYGVNYGN-UHFFFAOYSA-N
XLogP1.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide (CID 114540991) is 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2cccc(NN)n2)C1.
What is the InChIKey of 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is KSZDUTSYGVNYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-5-6-9(7-8)14-12(17)10-3-2-4-11(15-10)16-13/h2-4,8-9H,5-7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 114540991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).