4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide

C22H21N3O3 — CID 170055033

IUPAC4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
SMILESCc1cc(-c2cc(COc3ccc4c(c3)CCO4)ccn2)ccc1C(=O)NN
InChIInChI=1S/C22H21N3O3/c1-14-10-16(2-4-19(14)22(26)25-23)20-11-15(6-8-24-20)13-28-18-3-5-21-17(12-18)7-9-27-21/h2-6,8,10-12H,7,9,13,23H2,1H3,(H,25,26)
InChIKeyRMONVOYFEPRKMY-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.17
Rot. Bonds5

About 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide

4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide (PubChem CID 170055033) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
PubChem CID170055033
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
SMILESCc1cc(-c2cc(COc3ccc4c(c3)CCO4)ccn2)ccc1C(=O)NN
InChIInChI=1S/C22H21N3O3/c1-14-10-16(2-4-19(14)22(26)25-23)20-11-15(6-8-24-20)13-28-18-3-5-21-17(12-18)7-9-27-21/h2-6,8,10-12H,7,9,13,23H2,1H3,(H,25,26)
InChIKeyRMONVOYFEPRKMY-UHFFFAOYSA-N
XLogP3.17
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide?
The IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide (CID 170055033) is 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide.
What is the SMILES notation for 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide?
The canonical SMILES for 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide is Cc1cc(-c2cc(COc3ccc4c(c3)CCO4)ccn2)ccc1C(=O)NN.
What is the InChIKey of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide?
The InChIKey is RMONVOYFEPRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-10-16(2-4-19(14)22(26)25-23)20-11-15(6-8-24-20)13-28-18-3-5-21-17(12-18)7-9-27-21/h2-6,8,10-12H,7,9,13,23H2,1H3,(H,25,26).
What are the key properties of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide?
4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide has a molecular weight of 375.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide is sourced from PubChem (CID 170055033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).