methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate

C14H22N4O2 — CID 107164283

IUPACmethyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CCN(C)CC2)nn1
InChIInChI=1S/C14H22N4O2/c1-14(6-8-18(2)9-7-14)10-15-12-5-4-11(16-17-12)13(19)20-3/h4-5H,6-10H2,1-3H3,(H,15,17)
InChIKeyUQVYHUZBDYWSGY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.41
Rot. Bonds4

About methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate

methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate (PubChem CID 107164283) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate
PubChem CID107164283
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CCN(C)CC2)nn1
InChIInChI=1S/C14H22N4O2/c1-14(6-8-18(2)9-7-14)10-15-12-5-4-11(16-17-12)13(19)20-3/h4-5H,6-10H2,1-3H3,(H,15,17)
InChIKeyUQVYHUZBDYWSGY-UHFFFAOYSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate (CID 107164283) is methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC2(C)CCN(C)CC2)nn1.
What is the InChIKey of methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate?
The InChIKey is UQVYHUZBDYWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(6-8-18(2)9-7-14)10-15-12-5-4-11(16-17-12)13(19)20-3/h4-5H,6-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 107164283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).