6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C19H18N4O3 — CID 126463805

IUPAC6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC2Cc3cc(-c4cccnc4)ccc3O2)=NN1
InChIInChI=1S/C19H18N4O3/c24-18-6-4-16(22-23-18)19(25)21-11-15-9-14-8-12(3-5-17(14)26-15)13-2-1-7-20-10-13/h1-3,5,7-8,10,15H,4,6,9,11H2,(H,21,25)(H,23,24)
InChIKeyNUPRXIUEODPRLL-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.43
Rot. Bonds4

About 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 126463805) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID126463805
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC2Cc3cc(-c4cccnc4)ccc3O2)=NN1
InChIInChI=1S/C19H18N4O3/c24-18-6-4-16(22-23-18)19(25)21-11-15-9-14-8-12(3-5-17(14)26-15)13-2-1-7-20-10-13/h1-3,5,7-8,10,15H,4,6,9,11H2,(H,21,25)(H,23,24)
InChIKeyNUPRXIUEODPRLL-UHFFFAOYSA-N
XLogP1.43
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 126463805) is 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCC2Cc3cc(-c4cccnc4)ccc3O2)=NN1.
What is the InChIKey of 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is NUPRXIUEODPRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18-6-4-16(22-23-18)19(25)21-11-15-9-14-8-12(3-5-17(14)26-15)13-2-1-7-20-10-13/h1-3,5,7-8,10,15H,4,6,9,11H2,(H,21,25)(H,23,24).
What are the key properties of 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 126463805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).