3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide

C14H22N4O — CID 114696597

IUPAC3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H22N4O/c1-4-12-11(9-10(2)17-18-12)13(19)16-14(3)5-7-15-8-6-14/h9,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyQAQBANJXFIWRKO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds3

About 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide

3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide (PubChem CID 114696597) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide
PubChem CID114696597
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H22N4O/c1-4-12-11(9-10(2)17-18-12)13(19)16-14(3)5-7-15-8-6-14/h9,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyQAQBANJXFIWRKO-UHFFFAOYSA-N
XLogP1.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide (CID 114696597) is 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC1(C)CCNCC1.
What is the InChIKey of 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide?
The InChIKey is QAQBANJXFIWRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-12-11(9-10(2)17-18-12)13(19)16-14(3)5-7-15-8-6-14/h9,15H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 114696597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).