6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide

C12H11Cl2N5OS — CID 174178154

IUPAC6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncc(Cl)cc1SC
InChIInChI=1S/C12H11Cl2N5OS/c1-15-12(20)10-7(4-9(14)18-19-10)17-11-8(21-2)3-6(13)5-16-11/h3-5H,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyQKGNHEBXFBHOKT-UHFFFAOYSA-N
MW344.23 g/mol
LogP3.00
Rot. Bonds4

About 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide

6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 174178154) has the molecular formula C12H11Cl2N5OS and a molecular weight of 344.23 g/mol. Its IUPAC name is 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID174178154
Molecular FormulaC12H11Cl2N5OS
Molecular Weight344.23 g/mol
Exact Mass343.01
IUPAC Name6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncc(Cl)cc1SC
InChIInChI=1S/C12H11Cl2N5OS/c1-15-12(20)10-7(4-9(14)18-19-10)17-11-8(21-2)3-6(13)5-16-11/h3-5H,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyQKGNHEBXFBHOKT-UHFFFAOYSA-N
XLogP3.00
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide (CID 174178154) is 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1ncc(Cl)cc1SC.
What is the InChIKey of 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is QKGNHEBXFBHOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5OS/c1-15-12(20)10-7(4-9(14)18-19-10)17-11-8(21-2)3-6(13)5-16-11/h3-5H,1-2H3,(H,15,20)(H,16,17,18).
What are the key properties of 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 344.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 174178154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).