methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate

C16H16N4O3 — CID 133296390

IUPACmethyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)nn1
InChIInChI=1S/C16H16N4O3/c1-23-16(22)13-7-8-14(19-18-13)17-12-9-10-20(15(12)21)11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,19)
InChIKeyRRUQAPYYWGJRPI-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.48
Rot. Bonds4

About methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate

methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate (PubChem CID 133296390) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
PubChem CID133296390
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Namemethyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)nn1
InChIInChI=1S/C16H16N4O3/c1-23-16(22)13-7-8-14(19-18-13)17-12-9-10-20(15(12)21)11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,19)
InChIKeyRRUQAPYYWGJRPI-UHFFFAOYSA-N
XLogP1.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
CID 95324954
1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one
CID 133296489
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
1-phenyl-3-(pyrido[2,3-b]pyrazin-6-ylamino)pyrrolidin-2-one
CID 75370344
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate (CID 133296390) is methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)nn1.
What is the InChIKey of methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate?
The InChIKey is RRUQAPYYWGJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-16(22)13-7-8-14(19-18-13)17-12-9-10-20(15(12)21)11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,19).
What are the key properties of methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 133296390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).