2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide

C12H19ClN4O2 — CID 82960146

IUPAC2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCOCCN(C(=O)c1cc(Cl)nc(NN)c1)C(C)C
InChIInChI=1S/C12H19ClN4O2/c1-8(2)17(4-5-19-3)12(18)9-6-10(13)15-11(7-9)16-14/h6-8H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyUNNGICRWIWIHHO-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.52
Rot. Bonds6

About 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 82960146) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID82960146
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCOCCN(C(=O)c1cc(Cl)nc(NN)c1)C(C)C
InChIInChI=1S/C12H19ClN4O2/c1-8(2)17(4-5-19-3)12(18)9-6-10(13)15-11(7-9)16-14/h6-8H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyUNNGICRWIWIHHO-UHFFFAOYSA-N
XLogP1.52
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248956
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79487727
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 55051035
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62235894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide (CID 82960146) is 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide is COCCN(C(=O)c1cc(Cl)nc(NN)c1)C(C)C.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is UNNGICRWIWIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-8(2)17(4-5-19-3)12(18)9-6-10(13)15-11(7-9)16-14/h6-8H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 82960146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).