N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H14ClN5O2S — CID 155153150

IUPACN-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)s3)nn2)CCC1=O
InChIInChI=1S/C15H14ClN5O2S/c1-21-14(22)7-4-11(20-21)15(23)17-13-6-2-9(18-19-13)8-10-3-5-12(16)24-10/h2-3,5-6H,4,7-8H2,1H3,(H,17,19,23)
InChIKeyHEWKLBUJANETFY-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.33
Rot. Bonds4

About N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 155153150) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID155153150
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC NameN-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)s3)nn2)CCC1=O
InChIInChI=1S/C15H14ClN5O2S/c1-21-14(22)7-4-11(20-21)15(23)17-13-6-2-9(18-19-13)8-10-3-5-12(16)24-10/h2-3,5-6H,4,7-8H2,1H3,(H,17,19,23)
InChIKeyHEWKLBUJANETFY-UHFFFAOYSA-N
XLogP2.33
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 155153150) is N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)s3)nn2)CCC1=O.
What is the InChIKey of N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HEWKLBUJANETFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-21-14(22)7-4-11(20-21)15(23)17-13-6-2-9(18-19-13)8-10-3-5-12(16)24-10/h2-3,5-6H,4,7-8H2,1H3,(H,17,19,23).
What are the key properties of N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 155153150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).