6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide

C13H20N4O — CID 107420650

IUPAC6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccc(NN)nc1
InChIInChI=1S/C13H20N4O/c1-9-3-2-4-10(9)7-16-13(18)11-5-6-12(17-14)15-8-11/h5-6,8-10H,2-4,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQCYPVSLLHHCPAV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds4

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

6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide (PubChem CID 107420650) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
PubChem CID107420650
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccc(NN)nc1
InChIInChI=1S/C13H20N4O/c1-9-3-2-4-10(9)7-16-13(18)11-5-6-12(17-14)15-8-11/h5-6,8-10H,2-4,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQCYPVSLLHHCPAV-UHFFFAOYSA-N
XLogP1.53
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
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-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide (CID 107420650) is 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide is CC1CCCC1CNC(=O)c1ccc(NN)nc1.
What is the InChIKey of 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The InChIKey is QCYPVSLLHHCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-3-2-4-10(9)7-16-13(18)11-5-6-12(17-14)15-8-11/h5-6,8-10H,2-4,7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107420650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).