4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide

C15H17N3O2S — CID 122280642

IUPAC4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2nc3c(cc2=O)CCC3)c1
InChIInChI=1S/C15H17N3O2S/c1-10-7-13(21-9-10)15(20)16-5-6-18-14(19)8-11-3-2-4-12(11)17-18/h7-9H,2-6H2,1H3,(H,16,20)
InChIKeyKSFUNNBDTSCIBD-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.53
Rot. Bonds4

About 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide

4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 122280642) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID122280642
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2nc3c(cc2=O)CCC3)c1
InChIInChI=1S/C15H17N3O2S/c1-10-7-13(21-9-10)15(20)16-5-6-18-14(19)8-11-3-2-4-12(11)17-18/h7-9H,2-6H2,1H3,(H,16,20)
InChIKeyKSFUNNBDTSCIBD-UHFFFAOYSA-N
XLogP1.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
2-(4-methylbenzoyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280397
3-methyl-4-nitro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280625
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
2-(4-methylphenyl)-N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]propanamide
CID 110223449
5-bromo-2-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277460
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
3-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280591

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide (CID 122280642) is 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCn2nc3c(cc2=O)CCC3)c1.
What is the InChIKey of 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KSFUNNBDTSCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-7-13(21-9-10)15(20)16-5-6-18-14(19)8-11-3-2-4-12(11)17-18/h7-9H,2-6H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 122280642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).