N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide

C17H22N4O2S — CID 91924048

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
SMILESCCn1ncc(N2CCC(NC(=O)c3sccc3C)CC2)cc1=O
InChIInChI=1S/C17H22N4O2S/c1-3-21-15(22)10-14(11-18-21)20-7-4-13(5-8-20)19-17(23)16-12(2)6-9-24-16/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,19,23)
InChIKeyOQXQJDHTDHTYCN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.03
Rot. Bonds4

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 91924048) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID91924048
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
SMILESCCn1ncc(N2CCC(NC(=O)c3sccc3C)CC2)cc1=O
InChIInChI=1S/C17H22N4O2S/c1-3-21-15(22)10-14(11-18-21)20-7-4-13(5-8-20)19-17(23)16-12(2)6-9-24-16/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,19,23)
InChIKeyOQXQJDHTDHTYCN-UHFFFAOYSA-N
XLogP2.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide (CID 91924048) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide is CCn1ncc(N2CCC(NC(=O)c3sccc3C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is OQXQJDHTDHTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-21-15(22)10-14(11-18-21)20-7-4-13(5-8-20)19-17(23)16-12(2)6-9-24-16/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 91924048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).