(4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C23H22N4O4 — CID 19163144

IUPAC(4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2
InChIInChI=1S/C23H22N4O4/c1-14-20-17(26-27-22(29)16-7-2-3-9-18(16)28)8-4-10-19(20)31-21(14)23(30)25-13-15-6-5-11-24-12-15/h2-3,5-7,9,11-12,28H,4,8,10,13H2,1H3,(H,25,30)(H,27,29)/b26-17+
InChIKeyAXDXSSNXODLWHF-YZSQISJMSA-N
MW418.45 g/mol
LogP3.09
Rot. Bonds5

About (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19163144) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19163144
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name(4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2
InChIInChI=1S/C23H22N4O4/c1-14-20-17(26-27-22(29)16-7-2-3-9-18(16)28)8-4-10-19(20)31-21(14)23(30)25-13-15-6-5-11-24-12-15/h2-3,5-7,9,11-12,28H,4,8,10,13H2,1H3,(H,25,30)(H,27,29)/b26-17+
InChIKeyAXDXSSNXODLWHF-YZSQISJMSA-N
XLogP3.09
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazinylidene]-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19160123
(4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazinylidene]-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156429
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161467
(4E)-4-(diaminomethylidenehydrazinylidene)-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19162304
(4E)-4-[(4-fluorophenyl)sulfonylhydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19162976
2-hydroxy-N-[(E)-[3-methyl-2-[[(2-phenoxyacetyl)amino]carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19163233
(4E)-4-(furan-2-carbonylhydrazinylidene)-3-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19158757
N-[(E)-[3-methyl-2-(phenylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158498
N-[(E)-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-2-carboxamide
CID 19158612
(4E)-N-(furan-2-ylmethyl)-3-methyl-4-[(2-phenylacetyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159997
naphthalen-2-yl (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19163147
(4E)-4-[(2-chlorobenzoyl)hydrazinylidene]-N-(3-imidazol-1-ylpropyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156742

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19163144) is (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2.
What is the InChIKey of (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is AXDXSSNXODLWHF-YZSQISJMSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-20-17(26-27-22(29)16-7-2-3-9-18(16)28)8-4-10-19(20)31-21(14)23(30)25-13-15-6-5-11-24-12-15/h2-3,5-7,9,11-12,28H,4,8,10,13H2,1H3,(H,25,30)(H,27,29)/b26-17+.
What are the key properties of (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19163144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).