6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

C18H19N5O2 — CID 16732006

IUPAC6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(Oc3ccccc3C#N)CC2)nn1
InChIInChI=1S/C18H19N5O2/c1-20-18(24)15-6-7-17(22-21-15)23-10-8-14(9-11-23)25-16-5-3-2-4-13(16)12-19/h2-7,14H,8-11H2,1H3,(H,20,24)
InChIKeyHIPSFBXGHMKRAR-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.76
Rot. Bonds4

About 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 16732006) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID16732006
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(Oc3ccccc3C#N)CC2)nn1
InChIInChI=1S/C18H19N5O2/c1-20-18(24)15-6-7-17(22-21-15)23-10-8-14(9-11-23)25-16-5-3-2-4-13(16)12-19/h2-7,14H,8-11H2,1H3,(H,20,24)
InChIKeyHIPSFBXGHMKRAR-UHFFFAOYSA-N
XLogP1.76
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 16732006) is 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC(Oc3ccccc3C#N)CC2)nn1.
What is the InChIKey of 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is HIPSFBXGHMKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-20-18(24)15-6-7-17(22-21-15)23-10-8-14(9-11-23)25-16-5-3-2-4-13(16)12-19/h2-7,14H,8-11H2,1H3,(H,20,24).
What are the key properties of 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyanophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 16732006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).