2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide

C12H13ClN4OS — CID 62241591

IUPAC2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C12H13ClN4OS/c1-17(6-8-2-3-19-7-8)12(18)9-4-10(13)15-11(5-9)16-14/h2-5,7H,6,14H2,1H3,(H,15,16)
InChIKeyMFFAWJZJQHXQAM-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.35
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 62241591) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
PubChem CID62241591
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C12H13ClN4OS/c1-17(6-8-2-3-19-7-8)12(18)9-4-10(13)15-11(5-9)16-14/h2-5,7H,6,14H2,1H3,(H,15,16)
InChIKeyMFFAWJZJQHXQAM-UHFFFAOYSA-N
XLogP2.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.35
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

2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
5-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62243030
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 113227301
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
2-chloro-6-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63208995
2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62248621
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide (CID 62241591) is 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide is CN(Cc1ccsc1)C(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MFFAWJZJQHXQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-17(6-8-2-3-19-7-8)12(18)9-4-10(13)15-11(5-9)16-14/h2-5,7H,6,14H2,1H3,(H,15,16).
What are the key properties of 2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.35, 4 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-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62241591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).