3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide

C12H17ClN4O2 — CID 62237067

IUPAC3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1nc(NN)ccc1Cl)C1CCOCC1
InChIInChI=1S/C12H17ClN4O2/c1-17(8-4-6-19-7-5-8)12(18)11-9(13)2-3-10(15-11)16-14/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyJPCYBMLFHGXRBS-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.27
Rot. Bonds3

About 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 62237067) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID62237067
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1nc(NN)ccc1Cl)C1CCOCC1
InChIInChI=1S/C12H17ClN4O2/c1-17(8-4-6-19-7-5-8)12(18)11-9(13)2-3-10(15-11)16-14/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyJPCYBMLFHGXRBS-UHFFFAOYSA-N
XLogP1.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.27
H-Bond Donors ≤ 52
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-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide (CID 62237067) is 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide is CN(C(=O)c1nc(NN)ccc1Cl)C1CCOCC1.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is JPCYBMLFHGXRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-17(8-4-6-19-7-5-8)12(18)11-9(13)2-3-10(15-11)16-14/h2-3,8H,4-7,14H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62237067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).