(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate

C16H18N4O4 — CID 154857840

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate
SMILESCc1cc(=O)c(COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C16H18N4O4/c1-10-6-14(21)13(19-18-10)9-24-16(23)11-7-12(17-8-11)15(22)20-4-2-3-5-20/h6-8,17H,2-5,9H2,1H3,(H,18,21)
InChIKeyUVRNQZMZZYJNLS-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.00
Rot. Bonds4

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate (PubChem CID 154857840) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate
PubChem CID154857840
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate
SMILESCc1cc(=O)c(COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C16H18N4O4/c1-10-6-14(21)13(19-18-10)9-24-16(23)11-7-12(17-8-11)15(22)20-4-2-3-5-20/h6-8,17H,2-5,9H2,1H3,(H,18,21)
InChIKeyUVRNQZMZZYJNLS-UHFFFAOYSA-N
XLogP1.00
TPSA108.15 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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-carbamoylbenzoate
CID 31805396
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-hydroxybenzoate
CID 40755615
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3,4-dichlorobenzoate
CID 27269739
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 17397369
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate
CID 154868323
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-amino-5-methylbenzoate
CID 167961036
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 27236301
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate
CID 166183013
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-bromobenzoate
CID 40755229
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
CID 154807735
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 27266093

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate (CID 154857840) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate is Cc1cc(=O)c(COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate?
The InChIKey is UVRNQZMZZYJNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-6-14(21)13(19-18-10)9-24-16(23)11-7-12(17-8-11)15(22)20-4-2-3-5-20/h6-8,17H,2-5,9H2,1H3,(H,18,21).
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 154857840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).