2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide

C13H18ClN5O — CID 62235894

IUPAC2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H18ClN5O/c1-9(2)8-19(5-3-4-15)13(20)10-6-11(14)17-12(7-10)18-16/h6-7,9H,3,5,8,16H2,1-2H3,(H,17,18)
InChIKeyYUXGQOGWEPMCJP-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.03
Rot. Bonds6

About 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide

2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 62235894) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID62235894
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H18ClN5O/c1-9(2)8-19(5-3-4-15)13(20)10-6-11(14)17-12(7-10)18-16/h6-7,9H,3,5,8,16H2,1-2H3,(H,17,18)
InChIKeyYUXGQOGWEPMCJP-UHFFFAOYSA-N
XLogP2.03
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.03
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-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79487727
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 55051035
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82960146
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62236256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide (CID 62235894) is 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(CCC#N)C(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is YUXGQOGWEPMCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-9(2)8-19(5-3-4-15)13(20)10-6-11(14)17-12(7-10)18-16/h6-7,9H,3,5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide?
2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 62235894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).