5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide

C13H21ClN4O2 — CID 114098385

IUPAC5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
SMILESCC(C)COCCCNC(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H21ClN4O2/c1-9(2)8-20-5-3-4-16-13(19)10-6-11(14)12(18-15)17-7-10/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOIEKHXHXSYMNSQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.81
Rot. Bonds8

About 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide

5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide (PubChem CID 114098385) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
PubChem CID114098385
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
SMILESCC(C)COCCCNC(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H21ClN4O2/c1-9(2)8-20-5-3-4-16-13(19)10-6-11(14)12(18-15)17-7-10/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOIEKHXHXSYMNSQ-UHFFFAOYSA-N
XLogP1.81
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
5-chloro-6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106340809
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-chloro-6-hydrazinyl-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62236246
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
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-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide (CID 114098385) is 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide is CC(C)COCCCNC(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide?
The InChIKey is OIEKHXHXSYMNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9(2)8-20-5-3-4-16-13(19)10-6-11(14)12(18-15)17-7-10/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide?
5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 114098385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).