6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide

C18H20N4O3 — CID 53065920

IUPAC6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(CCC(=O)N2CCCC2)n1
InChIInChI=1S/C18H20N4O3/c23-16(21-11-4-5-12-21)10-13-22-17(24)9-8-15(20-22)18(25)19-14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-13H2,(H,19,25)
InChIKeyOWVDPUJHVYKAPV-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.51
Rot. Bonds5

About 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide

6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide (PubChem CID 53065920) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
PubChem CID53065920
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(CCC(=O)N2CCCC2)n1
InChIInChI=1S/C18H20N4O3/c23-16(21-11-4-5-12-21)10-13-22-17(24)9-8-15(20-22)18(25)19-14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-13H2,(H,19,25)
InChIKeyOWVDPUJHVYKAPV-UHFFFAOYSA-N
XLogP1.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065911
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide
CID 53027332
ethyl 4-[2-[6-oxo-3-(phenylcarbamoyl)pyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41247675
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066086
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 26845028
1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
N-(3,4-dimethylphenyl)-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066161
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide (CID 53065920) is 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(=O)n(CCC(=O)N2CCCC2)n1.
What is the InChIKey of 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide?
The InChIKey is OWVDPUJHVYKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(21-11-4-5-12-21)10-13-22-17(24)9-8-15(20-22)18(25)19-14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-13H2,(H,19,25).
What are the key properties of 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide?
6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 53065920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).