N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide

C19H19N5OS — CID 113043097

IUPACN-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nn1)c1cccs1
InChIInChI=1S/C19H19N5OS/c25-19(16-7-4-14-26-16)20-17-8-9-18(22-21-17)24-12-10-23(11-13-24)15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H,20,21,25)
InChIKeyWCUPQRIUNDIWKK-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.12
Rot. Bonds4

About N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113043097) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113043097
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nn1)c1cccs1
InChIInChI=1S/C19H19N5OS/c25-19(16-7-4-14-26-16)20-17-8-9-18(22-21-17)24-12-10-23(11-13-24)15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H,20,21,25)
InChIKeyWCUPQRIUNDIWKK-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]thiophene-2-carboxamide
CID 113043710
N-[6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42111617
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]thiophene-2-carboxamide
CID 7593249
benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate
CID 42139423

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide (CID 113043097) is N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide is O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nn1)c1cccs1.
What is the InChIKey of N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is WCUPQRIUNDIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-19(16-7-4-14-26-16)20-17-8-9-18(22-21-17)24-12-10-23(11-13-24)15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H,20,21,25).
What are the key properties of N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113043097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).