N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

C17H18N4O2S — CID 51100633

IUPACN-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NC3(C#N)CCCC3)n2)s1
InChIInChI=1S/C17H18N4O2S/c1-12-4-6-14(24-12)13-5-7-16(23)21(20-13)10-15(22)19-17(11-18)8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,19,22)
InChIKeyBVQHSIPZIJRLEA-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.23
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51100633) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51100633
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NC3(C#N)CCCC3)n2)s1
InChIInChI=1S/C17H18N4O2S/c1-12-4-6-14(24-12)13-5-7-16(23)21(20-13)10-15(22)19-17(11-18)8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,19,22)
InChIKeyBVQHSIPZIJRLEA-UHFFFAOYSA-N
XLogP2.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
CID 122246431
N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 94799870
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774
N-(1-cyanocyclohexyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7560977
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589056
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837951
6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one
CID 75501163
N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7531444
2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 23612563
N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 51100633) is N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NC3(C#N)CCCC3)n2)s1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is BVQHSIPZIJRLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-4-6-14(24-12)13-5-7-16(23)21(20-13)10-15(22)19-17(11-18)8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,19,22).
What are the key properties of N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51100633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).