2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide

C12H18ClN5OS — CID 106327248

IUPAC2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCN2CCSCC2)cc(Cl)n1
InChIInChI=1S/C12H18ClN5OS/c13-10-7-9(8-11(16-10)17-14)12(19)15-1-2-18-3-5-20-6-4-18/h7-8H,1-6,14H2,(H,15,19)(H,16,17)
InChIKeyMTKRPSZRLHXIGS-UHFFFAOYSA-N
MW315.83 g/mol
LogP0.80
Rot. Bonds5

About 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 106327248) has the molecular formula C12H18ClN5OS and a molecular weight of 315.83 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID106327248
Molecular FormulaC12H18ClN5OS
Molecular Weight315.83 g/mol
Exact Mass315.09
IUPAC Name2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCN2CCSCC2)cc(Cl)n1
InChIInChI=1S/C12H18ClN5OS/c13-10-7-9(8-11(16-10)17-14)12(19)15-1-2-18-3-5-20-6-4-18/h7-8H,1-6,14H2,(H,15,19)(H,16,17)
InChIKeyMTKRPSZRLHXIGS-UHFFFAOYSA-N
XLogP0.80
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-ethyl-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327211
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
CID 62243993
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 62241494
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 62242607
2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 62242563
2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327147
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 62235791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide (CID 106327248) is 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide is NNc1cc(C(=O)NCCN2CCSCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is MTKRPSZRLHXIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5OS/c13-10-7-9(8-11(16-10)17-14)12(19)15-1-2-18-3-5-20-6-4-18/h7-8H,1-6,14H2,(H,15,19)(H,16,17).
What are the key properties of 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 315.83 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106327248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).