N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide

C15H18N4O2S — CID 91924014

IUPACN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCn1ncc(N2CCC(NC(=O)c3cccs3)CC2)cc1=O
InChIInChI=1S/C15H18N4O2S/c1-18-14(20)9-12(10-16-18)19-6-4-11(5-7-19)17-15(21)13-3-2-8-22-13/h2-3,8-11H,4-7H2,1H3,(H,17,21)
InChIKeyQYNQSLYXEUNQHX-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.24
Rot. Bonds3

About N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 91924014) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID91924014
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCn1ncc(N2CCC(NC(=O)c3cccs3)CC2)cc1=O
InChIInChI=1S/C15H18N4O2S/c1-18-14(20)9-12(10-16-18)19-6-4-11(5-7-19)17-15(21)13-3-2-8-22-13/h2-3,8-11H,4-7H2,1H3,(H,17,21)
InChIKeyQYNQSLYXEUNQHX-UHFFFAOYSA-N
XLogP1.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 126851164
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91924029
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)thiophene-2-carboxamide
CID 112533117
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
CID 91911806

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide (CID 91924014) is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide is Cn1ncc(N2CCC(NC(=O)c3cccs3)CC2)cc1=O.
What is the InChIKey of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is QYNQSLYXEUNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18-14(20)9-12(10-16-18)19-6-4-11(5-7-19)17-15(21)13-3-2-8-22-13/h2-3,8-11H,4-7H2,1H3,(H,17,21).
What are the key properties of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91924014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).