3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide

C12H18N4O2 — CID 105072489

IUPAC3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2ccncc2NN)CCOCC1
InChIInChI=1S/C12H18N4O2/c1-12(3-6-18-7-4-12)15-11(17)9-2-5-14-8-10(9)16-13/h2,5,8,16H,3-4,6-7,13H2,1H3,(H,15,17)
InChIKeyOZUDKYQZUXXPOA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.67
Rot. Bonds3

About 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide

3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide (PubChem CID 105072489) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
PubChem CID105072489
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2ccncc2NN)CCOCC1
InChIInChI=1S/C12H18N4O2/c1-12(3-6-18-7-4-12)15-11(17)9-2-5-14-8-10(9)16-13/h2,5,8,16H,3-4,6-7,13H2,1H3,(H,15,17)
InChIKeyOZUDKYQZUXXPOA-UHFFFAOYSA-N
XLogP0.67
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide (CID 105072489) is 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide is CC1(NC(=O)c2ccncc2NN)CCOCC1.
What is the InChIKey of 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide?
The InChIKey is OZUDKYQZUXXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(3-6-18-7-4-12)15-11(17)9-2-5-14-8-10(9)16-13/h2,5,8,16H,3-4,6-7,13H2,1H3,(H,15,17).
What are the key properties of 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide?
3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105072489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).