N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H18N4O4 — CID 91765820

IUPACN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)C3=NNC(=O)CC3)CC2=O)c1
InChIInChI=1S/C16H18N4O4/c1-24-12-4-2-3-11(8-12)20-9-10(7-15(20)22)17-16(23)13-5-6-14(21)19-18-13/h2-4,8,10H,5-7,9H2,1H3,(H,17,23)(H,19,21)
InChIKeyGOFCNJUOBVKACV-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.18
Rot. Bonds4

About N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 91765820) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID91765820
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)C3=NNC(=O)CC3)CC2=O)c1
InChIInChI=1S/C16H18N4O4/c1-24-12-4-2-3-11(8-12)20-9-10(7-15(20)22)17-16(23)13-5-6-14(21)19-18-13/h2-4,8,10H,5-7,9H2,1H3,(H,17,23)(H,19,21)
InChIKeyGOFCNJUOBVKACV-UHFFFAOYSA-N
XLogP0.18
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
3,4,5-trimethoxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970933
3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548122
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-propan-2-yloxybenzamide
CID 7548095
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 91765820) is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1cccc(N2CC(NC(=O)C3=NNC(=O)CC3)CC2=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is GOFCNJUOBVKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-24-12-4-2-3-11(8-12)20-9-10(7-15(20)22)17-16(23)13-5-6-14(21)19-18-13/h2-4,8,10H,5-7,9H2,1H3,(H,17,23)(H,19,21).
What are the key properties of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 91765820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).