methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate

C16H18N4O3S — CID 121028038

IUPACmethyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C16H18N4O3S/c1-23-16(22)14-11(7-10-24-14)17-15(21)12-5-6-13(19-18-12)20-8-3-2-4-9-20/h5-7,10H,2-4,8-9H2,1H3,(H,17,21)
InChIKeyXPDSGEXONGWUQW-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.57
Rot. Bonds4

About methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 121028038) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID121028038
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Namemethyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C16H18N4O3S/c1-23-16(22)14-11(7-10-24-14)17-15(21)12-5-6-13(19-18-12)20-8-3-2-4-9-20/h5-7,10H,2-4,8-9H2,1H3,(H,17,21)
InChIKeyXPDSGEXONGWUQW-UHFFFAOYSA-N
XLogP2.57
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[6-(azepan-1-yl)pyridazine-3-carbonyl]amino]-4-chlorobenzoate
CID 109126408
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
methyl 3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122334493
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate (CID 121028038) is methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is XPDSGEXONGWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-23-16(22)14-11(7-10-24-14)17-15(21)12-5-6-13(19-18-12)20-8-3-2-4-9-20/h5-7,10H,2-4,8-9H2,1H3,(H,17,21).
What are the key properties of methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 121028038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).