2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide

C12H19ClN4O — CID 62236411

IUPAC2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C12H19ClN4O/c1-3-5-9(4-2)15-12(18)8-6-10(13)16-11(7-8)17-14/h6-7,9H,3-5,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyAOJWWCLVCJDWFM-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.33
Rot. Bonds6

About 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide

2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide (PubChem CID 62236411) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
PubChem CID62236411
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C12H19ClN4O/c1-3-5-9(4-2)15-12(18)8-6-10(13)16-11(7-8)17-14/h6-7,9H,3-5,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyAOJWWCLVCJDWFM-UHFFFAOYSA-N
XLogP2.33
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide
CID 109478985
2-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 62248978
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide (CID 62236411) is 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide is CCCC(CC)NC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is AOJWWCLVCJDWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-5-9(4-2)15-12(18)8-6-10(13)16-11(7-8)17-14/h6-7,9H,3-5,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide?
2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 62236411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).