N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide

C21H27N5O3 — CID 113045448

IUPACN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-28-18-4-2-17(3-5-18)25-10-12-26(13-11-25)20-7-6-19(23-24-20)22-21(27)16-8-14-29-15-9-16/h2-7,16H,8-15H2,1H3,(H,22,23,27)
InChIKeyYXMINIURQFRPOP-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.18
Rot. Bonds5

About N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 113045448) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
PubChem CID113045448
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-28-18-4-2-17(3-5-18)25-10-12-26(13-11-25)20-7-6-19(23-24-20)22-21(27)16-8-14-29-15-9-16/h2-7,16H,8-15H2,1H3,(H,22,23,27)
InChIKeyYXMINIURQFRPOP-UHFFFAOYSA-N
XLogP2.18
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
CID 113045434
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117092391
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide
CID 113042461
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 121071892
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide (CID 113045448) is N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide is COc1ccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)nn3)CC2)cc1.
What is the InChIKey of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide?
The InChIKey is YXMINIURQFRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-28-18-4-2-17(3-5-18)25-10-12-26(13-11-25)20-7-6-19(23-24-20)22-21(27)16-8-14-29-15-9-16/h2-7,16H,8-15H2,1H3,(H,22,23,27).
What are the key properties of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide?
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 113045448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).