4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide

C20H21N7O5 — CID 147178389

IUPAC4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2ccnnc2C(N)=O)cccc1-c1noc(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C20H21N7O5/c1-30-18-12(3-2-4-14(18)23-13-5-6-22-25-17(13)19(21)29)20-24-15(32-26-20)11-16(28)27-7-9-31-10-8-27/h2-6H,7-11H2,1H3,(H2,21,29)(H,22,23)
InChIKeyBZCAUHMSWXSOAI-UHFFFAOYSA-N
MW439.43 g/mol
LogP0.78
Rot. Bonds7

About 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide

4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide (PubChem CID 147178389) has the molecular formula C20H21N7O5 and a molecular weight of 439.43 g/mol. Its IUPAC name is 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
PubChem CID147178389
Molecular FormulaC20H21N7O5
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2ccnnc2C(N)=O)cccc1-c1noc(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C20H21N7O5/c1-30-18-12(3-2-4-14(18)23-13-5-6-22-25-17(13)19(21)29)20-24-15(32-26-20)11-16(28)27-7-9-31-10-8-27/h2-6H,7-11H2,1H3,(H2,21,29)(H,22,23)
InChIKeyBZCAUHMSWXSOAI-UHFFFAOYSA-N
XLogP0.78
TPSA158.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?
The IUPAC name of 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide (CID 147178389) is 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide is COc1c(Nc2ccnnc2C(N)=O)cccc1-c1noc(CC(=O)N2CCOCC2)n1.
What is the InChIKey of 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?
The InChIKey is BZCAUHMSWXSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O5/c1-30-18-12(3-2-4-14(18)23-13-5-6-22-25-17(13)19(21)29)20-24-15(32-26-20)11-16(28)27-7-9-31-10-8-27/h2-6H,7-11H2,1H3,(H2,21,29)(H,22,23).
What are the key properties of 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?
4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-[5-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 147178389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).