2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C13H15ClN4OS — CID 62248621

IUPAC2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H15ClN4OS/c1-2-18(8-10-4-3-5-20-10)13(19)9-6-11(14)16-12(7-9)17-15/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKeyFAAIAEYALROMJA-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 62248621) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID62248621
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H15ClN4OS/c1-2-18(8-10-4-3-5-20-10)13(19)9-6-11(14)16-12(7-9)17-15/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKeyFAAIAEYALROMJA-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.74
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

4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 32582610
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-6-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175204

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 62248621) is 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is CCN(Cc1cccs1)C(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is FAAIAEYALROMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-2-18(8-10-4-3-5-20-10)13(19)9-6-11(14)16-12(7-9)17-15/h3-7H,2,8,15H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62248621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).