3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide

C12H19ClN4O — CID 62243844

IUPAC3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H19ClN4O/c1-12(2,3)7-17(4)11(18)10-8(13)5-6-9(15-10)16-14/h5-6H,7,14H2,1-4H3,(H,15,16)
InChIKeyAJSGIDSHPWYSOK-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.14
Rot. Bonds3

About 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide

3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide (PubChem CID 62243844) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
PubChem CID62243844
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H19ClN4O/c1-12(2,3)7-17(4)11(18)10-8(13)5-6-9(15-10)16-14/h5-6H,7,14H2,1-4H3,(H,15,16)
InChIKeyAJSGIDSHPWYSOK-UHFFFAOYSA-N
XLogP2.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.14
H-Bond Donors ≤ 52
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 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide (CID 62243844) is 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide is CN(CC(C)(C)C)C(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide?
The InChIKey is AJSGIDSHPWYSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-12(2,3)7-17(4)11(18)10-8(13)5-6-9(15-10)16-14/h5-6H,7,14H2,1-4H3,(H,15,16).
What are the key properties of 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide?
3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62243844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).