5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C12H18N4O2 — CID 104642789

IUPAC5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESNNc1ccc(C(=O)NCC2CCOCC2)nc1
InChIInChI=1S/C12H18N4O2/c13-16-10-1-2-11(14-8-10)12(17)15-7-9-3-5-18-6-4-9/h1-2,8-9,16H,3-7,13H2,(H,15,17)
InChIKeyXHNODZQNJILWTN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.52
Rot. Bonds4

About 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 104642789) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID104642789
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESNNc1ccc(C(=O)NCC2CCOCC2)nc1
InChIInChI=1S/C12H18N4O2/c13-16-10-1-2-11(14-8-10)12(17)15-7-9-3-5-18-6-4-9/h1-2,8-9,16H,3-7,13H2,(H,15,17)
InChIKeyXHNODZQNJILWTN-UHFFFAOYSA-N
XLogP0.52
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
5-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642487
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-hydrazinyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 114516677
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydrazinylpyridine-2-carboxamide
CID 114133319
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-(2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436364
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
N-(cyclopentylmethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378088

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 104642789) is 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is NNc1ccc(C(=O)NCC2CCOCC2)nc1.
What is the InChIKey of 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XHNODZQNJILWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-16-10-1-2-11(14-8-10)12(17)15-7-9-3-5-18-6-4-9/h1-2,8-9,16H,3-7,13H2,(H,15,17).
What are the key properties of 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104642789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).