2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide

C17H21N3O4 — CID 176903456

IUPAC2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide
SMILESCCn1c(=O)c2c(c3ccc(C)nc31)OC(C)(CC(=O)NO)CC2
InChIInChI=1S/C17H21N3O4/c1-4-20-15-11(6-5-10(2)18-15)14-12(16(20)22)7-8-17(3,24-14)9-13(21)19-23/h5-6,23H,4,7-9H2,1-3H3,(H,19,21)
InChIKeyOXQACVWRBIWFHF-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.70
Rot. Bonds3

About 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide

2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide (PubChem CID 176903456) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide
PubChem CID176903456
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide
SMILESCCn1c(=O)c2c(c3ccc(C)nc31)OC(C)(CC(=O)NO)CC2
InChIInChI=1S/C17H21N3O4/c1-4-20-15-11(6-5-10(2)18-15)14-12(16(20)22)7-8-17(3,24-14)9-13(21)19-23/h5-6,23H,4,7-9H2,1-3H3,(H,19,21)
InChIKeyOXQACVWRBIWFHF-UHFFFAOYSA-N
XLogP1.70
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide (CID 176903456) is 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide is CCn1c(=O)c2c(c3ccc(C)nc31)OC(C)(CC(=O)NO)CC2.
What is the InChIKey of 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide?
The InChIKey is OXQACVWRBIWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-20-15-11(6-5-10(2)18-15)14-12(16(20)22)7-8-17(3,24-14)9-13(21)19-23/h5-6,23H,4,7-9H2,1-3H3,(H,19,21).
What are the key properties of 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide?
2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide has a molecular weight of 331.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2,8-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-2-yl)-N-hydroxyacetamide is sourced from PubChem (CID 176903456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).