2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide

C15H25ClN4O — CID 79487727

IUPAC2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C15H25ClN4O/c1-5-12(6-2)20(9-10(3)4)15(21)11-7-13(16)18-14(8-11)19-17/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyGMDWYBNMRGFWFH-UHFFFAOYSA-N
MW312.85 g/mol
LogP3.31
Rot. Bonds7

About 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide (PubChem CID 79487727) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
PubChem CID79487727
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C15H25ClN4O/c1-5-12(6-2)20(9-10(3)4)15(21)11-7-13(16)18-14(8-11)19-17/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyGMDWYBNMRGFWFH-UHFFFAOYSA-N
XLogP3.31
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 53.31
H-Bond Donors ≤ 52
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

2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79483241
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 55051035
2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82960146
2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62235894
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248956
2-chloro-N-cyclopropyl-6-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243916
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide (CID 79487727) is 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The InChIKey is GMDWYBNMRGFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-5-12(6-2)20(9-10(3)4)15(21)11-7-13(16)18-14(8-11)19-17/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 79487727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).