5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

C12H19ClN4O — CID 62243427

IUPAC5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H19ClN4O/c1-7(2)8(3)17(4)12(18)9-5-10(13)11(16-14)15-6-9/h5-8H,14H2,1-4H3,(H,15,16)
InChIKeyMLWCWZUOWWVKRI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.14
Rot. Bonds4

About 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 62243427) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID62243427
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H19ClN4O/c1-7(2)8(3)17(4)12(18)9-5-10(13)11(16-14)15-6-9/h5-8H,14H2,1-4H3,(H,15,16)
InChIKeyMLWCWZUOWWVKRI-UHFFFAOYSA-N
XLogP2.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

5-chloro-6-hydrazinyl-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62236246
N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62243923
5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 103191193
5-chloro-6-hydrazinyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 62242464
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839
5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664211
5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62854972
5-chloro-N-(2-ethoxyethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81073870
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 63862804
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 62249151
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (CID 62243427) is 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is CC(C)C(C)N(C)C(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is MLWCWZUOWWVKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7(2)8(3)17(4)12(18)9-5-10(13)11(16-14)15-6-9/h5-8H,14H2,1-4H3,(H,15,16).
What are the key properties of 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62243427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).