4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide

C16H16N2O4 — CID 89174969

IUPAC4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide
SMILESCc1nc(Oc2ccc(C(=O)NCCO)cc2)ccc1C=O
InChIInChI=1S/C16H16N2O4/c1-11-13(10-20)4-7-15(18-11)22-14-5-2-12(3-6-14)16(21)17-8-9-19/h2-7,10,19H,8-9H2,1H3,(H,17,21)
InChIKeyKVYRZVJRKYLXBX-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.72
Rot. Bonds6

About 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide

4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide (PubChem CID 89174969) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide
PubChem CID89174969
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide
SMILESCc1nc(Oc2ccc(C(=O)NCCO)cc2)ccc1C=O
InChIInChI=1S/C16H16N2O4/c1-11-13(10-20)4-7-15(18-11)22-14-5-2-12(3-6-14)16(21)17-8-9-19/h2-7,10,19H,8-9H2,1H3,(H,17,21)
InChIKeyKVYRZVJRKYLXBX-UHFFFAOYSA-N
XLogP1.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide (CID 89174969) is 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide is Cc1nc(Oc2ccc(C(=O)NCCO)cc2)ccc1C=O.
What is the InChIKey of 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide?
The InChIKey is KVYRZVJRKYLXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-13(10-20)4-7-15(18-11)22-14-5-2-12(3-6-14)16(21)17-8-9-19/h2-7,10,19H,8-9H2,1H3,(H,17,21).
What are the key properties of 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide?
4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-formyl-6-methyl-2-pyridinyl)oxy]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 89174969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).