1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide

C14H17N3O3 — CID 71942735

IUPAC1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC2CCCc3occc32)CCC1=O
InChIInChI=1S/C14H17N3O3/c1-17-13(18)6-5-11(16-17)14(19)15-10-3-2-4-12-9(10)7-8-20-12/h7-8,10H,2-6H2,1H3,(H,15,19)
InChIKeyVKZRLVKLHLZDMD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.38
Rot. Bonds2

About 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 71942735) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID71942735
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC2CCCc3occc32)CCC1=O
InChIInChI=1S/C14H17N3O3/c1-17-13(18)6-5-11(16-17)14(19)15-10-3-2-4-12-9(10)7-8-20-12/h7-8,10H,2-6H2,1H3,(H,15,19)
InChIKeyVKZRLVKLHLZDMD-UHFFFAOYSA-N
XLogP1.38
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide (CID 71942735) is 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NC2CCCc3occc32)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VKZRLVKLHLZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-13(18)6-5-11(16-17)14(19)15-10-3-2-4-12-9(10)7-8-20-12/h7-8,10H,2-6H2,1H3,(H,15,19).
What are the key properties of 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 71942735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).