2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide

C13H17ClN4O2 — CID 114267435

IUPAC2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC2CC3CCC2O3)cc(Cl)n1
InChIInChI=1S/C13H17ClN4O2/c14-11-4-7(5-12(17-11)18-15)13(19)16-6-8-3-9-1-2-10(8)20-9/h4-5,8-10H,1-3,6,15H2,(H,16,19)(H,17,18)
InChIKeyQZIXXJLMXMMCSO-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.32
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 114267435) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID114267435
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC2CC3CCC2O3)cc(Cl)n1
InChIInChI=1S/C13H17ClN4O2/c14-11-4-7(5-12(17-11)18-15)13(19)16-6-8-3-9-1-2-10(8)20-9/h4-5,8-10H,1-3,6,15H2,(H,16,19)(H,17,18)
InChIKeyQZIXXJLMXMMCSO-UHFFFAOYSA-N
XLogP1.32
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-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

2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 62235791
2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80612695
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
CID 114167737
2-chloro-6-hydrazinyl-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 62248861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide (CID 114267435) is 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide is NNc1cc(C(=O)NCC2CC3CCC2O3)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is QZIXXJLMXMMCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-11-4-7(5-12(17-11)18-15)13(19)16-6-8-3-9-1-2-10(8)20-9/h4-5,8-10H,1-3,6,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114267435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).