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

C12H17ClN4OS — CID 80612695

IUPAC2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC2CCCCS2)cc(Cl)n1
InChIInChI=1S/C12H17ClN4OS/c13-10-5-8(6-11(16-10)17-14)12(18)15-7-9-3-1-2-4-19-9/h5-6,9H,1-4,7,14H2,(H,15,18)(H,16,17)
InChIKeyAAGBWHIUATUGBI-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.04
Rot. Bonds4

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

2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 80612695) has the molecular formula C12H17ClN4OS and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
PubChem CID80612695
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC Name2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC2CCCCS2)cc(Cl)n1
InChIInChI=1S/C12H17ClN4OS/c13-10-5-8(6-11(16-10)17-14)12(18)15-7-9-3-1-2-4-19-9/h5-6,9H,1-4,7,14H2,(H,15,18)(H,16,17)
InChIKeyAAGBWHIUATUGBI-UHFFFAOYSA-N
XLogP2.04
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.04
H-Bond Donors ≤ 53
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-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80600468
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203
3-bromo-5-chloro-N-(thian-2-ylmethyl)benzamide
CID 114020072
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211
2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 62235791
2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide
CID 114267435
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
4-amino-3-chloro-N-(thiolan-2-ylmethyl)benzamide
CID 80584689
2-chloro-6-hydrazinyl-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 62248861
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide (CID 80612695) is 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide is NNc1cc(C(=O)NCC2CCCCS2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is AAGBWHIUATUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4OS/c13-10-5-8(6-11(16-10)17-14)12(18)15-7-9-3-1-2-4-19-9/h5-6,9H,1-4,7,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 300.81 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 80612695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).