N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide

C21H21N3O5 — CID 126938938

IUPACN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3COCC3n3nc(C4CC4)ccc3=O)oc12
InChIInChI=1S/C21H21N3O5/c1-27-17-4-2-3-13-9-18(29-20(13)17)21(26)22-15-10-28-11-16(15)24-19(25)8-7-14(23-24)12-5-6-12/h2-4,7-9,12,15-16H,5-6,10-11H2,1H3,(H,22,26)
InChIKeyKVWNTFHPDWNNBN-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.25
Rot. Bonds5

About N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 126938938) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID126938938
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3COCC3n3nc(C4CC4)ccc3=O)oc12
InChIInChI=1S/C21H21N3O5/c1-27-17-4-2-3-13-9-18(29-20(13)17)21(26)22-15-10-28-11-16(15)24-19(25)8-7-14(23-24)12-5-6-12/h2-4,7-9,12,15-16H,5-6,10-11H2,1H3,(H,22,26)
InChIKeyKVWNTFHPDWNNBN-UHFFFAOYSA-N
XLogP2.25
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 126938938) is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC3COCC3n3nc(C4CC4)ccc3=O)oc12.
What is the InChIKey of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is KVWNTFHPDWNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-27-17-4-2-3-13-9-18(29-20(13)17)21(26)22-15-10-28-11-16(15)24-19(25)8-7-14(23-24)12-5-6-12/h2-4,7-9,12,15-16H,5-6,10-11H2,1H3,(H,22,26).
What are the key properties of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126938938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).