6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide

C18H20N4O2 — CID 133390552

IUPAC6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCCC2=CCOCC2)nn1
InChIInChI=1S/C18H20N4O2/c23-18(20-15-4-2-1-3-5-15)16-6-7-17(22-21-16)19-11-8-14-9-12-24-13-10-14/h1-7,9H,8,10-13H2,(H,19,22)(H,20,23)
InChIKeySMEXPVAAYZYMLU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.88
Rot. Bonds6

About 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide

6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133390552) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide
PubChem CID133390552
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCCC2=CCOCC2)nn1
InChIInChI=1S/C18H20N4O2/c23-18(20-15-4-2-1-3-5-15)16-6-7-17(22-21-16)19-11-8-14-9-12-24-13-10-14/h1-7,9H,8,10-13H2,(H,19,22)(H,20,23)
InChIKeySMEXPVAAYZYMLU-UHFFFAOYSA-N
XLogP2.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
N-(3,5-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115633
N-(3-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115615
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
N-ethyl-6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazine-3-carboxamide
CID 107488769
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide (CID 133390552) is 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(NCCC2=CCOCC2)nn1.
What is the InChIKey of 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is SMEXPVAAYZYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(20-15-4-2-1-3-5-15)16-6-7-17(22-21-16)19-11-8-14-9-12-24-13-10-14/h1-7,9H,8,10-13H2,(H,19,22)(H,20,23).
What are the key properties of 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide?
6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133390552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).