5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide

C13H21ClN4O — CID 113287874

IUPAC5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H21ClN4O/c1-9(2)5-3-4-6-16-13(19)10-7-11(14)12(18-15)17-8-10/h7-9H,3-6,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBKDVSJRGPRJVLB-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.58
Rot. Bonds7

About 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide

5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide (PubChem CID 113287874) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
PubChem CID113287874
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H21ClN4O/c1-9(2)5-3-4-6-16-13(19)10-7-11(14)12(18-15)17-8-10/h7-9H,3-6,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBKDVSJRGPRJVLB-UHFFFAOYSA-N
XLogP2.58
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
CID 114098385
5-chloro-6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106340809
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
5-chloro-6-hydrazinyl-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62236246
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
2-hydrazinyl-N-(5-methylhexyl)pyridine-4-carboxamide
CID 115327351
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
2-hydrazinyl-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818117
5-chloro-6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247358

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide (CID 113287874) is 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide is CC(C)CCCCNC(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide?
The InChIKey is BKDVSJRGPRJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)5-3-4-6-16-13(19)10-7-11(14)12(18-15)17-8-10/h7-9H,3-6,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide?
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 113287874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).