(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate

C16H17N3O3 — CID 154868323

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate
SMILESCc1cc(=O)c(COC(=O)c2ccc(C3CCC3)nc2)n[nH]1
InChIInChI=1S/C16H17N3O3/c1-10-7-15(20)14(19-18-10)9-22-16(21)12-5-6-13(17-8-12)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,18,20)
InChIKeyCKXXPMWOMNIWIW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.10
Rot. Bonds4

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate (PubChem CID 154868323) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate
PubChem CID154868323
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate
SMILESCc1cc(=O)c(COC(=O)c2ccc(C3CCC3)nc2)n[nH]1
InChIInChI=1S/C16H17N3O3/c1-10-7-15(20)14(19-18-10)9-22-16(21)12-5-6-13(17-8-12)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,18,20)
InChIKeyCKXXPMWOMNIWIW-UHFFFAOYSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 154857840
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
CID 154807735
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 166366138
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate
CID 166183013
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
CID 92621933
6-cyclopentylpyridine-3-carboxylic acid
CID 82403519
6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
CID 121261417
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate
CID 154857844
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-(1,3-thiazol-4-yl)propanoate
CID 166183018
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate
CID 166337149
methyl 6-[(1S)-2-oxocyclopentyl]pyridine-3-carboxylate
CID 97036868
ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
CID 135126252

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate (CID 154868323) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate is Cc1cc(=O)c(COC(=O)c2ccc(C3CCC3)nc2)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate?
The InChIKey is CKXXPMWOMNIWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-7-15(20)14(19-18-10)9-22-16(21)12-5-6-13(17-8-12)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,18,20).
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 6-cyclobutylpyridine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 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 6-cyclobutylpyridine-3-carboxylate is sourced from PubChem (CID 154868323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).