3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

C24H23N3O3 — CID 42189781

IUPAC3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)oc2c1C
InChIInChI=1S/C24H23N3O3/c1-15-9-10-19-17(3)23(30-22(19)16(15)2)24(29)25-13-14-27-21(28)12-11-20(26-27)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,25,29)
InChIKeyFOSOJPRSDAGZJP-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.01
Rot. Bonds5

About 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 42189781) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID42189781
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)oc2c1C
InChIInChI=1S/C24H23N3O3/c1-15-9-10-19-17(3)23(30-22(19)16(15)2)24(29)25-13-14-27-21(28)12-11-20(26-27)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,25,29)
InChIKeyFOSOJPRSDAGZJP-UHFFFAOYSA-N
XLogP4.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 42189781) is 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)oc2c1C.
What is the InChIKey of 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FOSOJPRSDAGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-9-10-19-17(3)23(30-22(19)16(15)2)24(29)25-13-14-27-21(28)12-11-20(26-27)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,25,29).
What are the key properties of 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42189781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).