N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide

C12H18N4O — CID 62243385

IUPACN-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC2CCCC2)ccn1
InChIInChI=1S/C12H18N4O/c13-16-11-7-10(5-6-14-11)12(17)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8,13H2,(H,14,16)(H,15,17)
InChIKeyGQSXBQMXBQZIAR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds4

About N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide

N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide (PubChem CID 62243385) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
PubChem CID62243385
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC2CCCC2)ccn1
InChIInChI=1S/C12H18N4O/c13-16-11-7-10(5-6-14-11)12(17)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8,13H2,(H,14,16)(H,15,17)
InChIKeyGQSXBQMXBQZIAR-UHFFFAOYSA-N
XLogP1.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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 N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide (CID 62243385) is N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide is NNc1cc(C(=O)NCC2CCCC2)ccn1.
What is the InChIKey of N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is GQSXBQMXBQZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-16-11-7-10(5-6-14-11)12(17)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8,13H2,(H,14,16)(H,15,17).
What are the key properties of N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide?
N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 62243385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).