4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide

C17H19N5O3 — CID 143926815

IUPAC4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide
SMILESCCOc1nc(C=O)cc(N)c1C#N.CNNC(=O)c1ccccc1
InChIInChI=1S/C9H9N3O2.C8H10N2O/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-9-10-8(11)7-5-3-2-4-6-7/h3,5H,2H2,1H3,(H2,11,12);2-6,9H,1H3,(H,10,11)
InChIKeyQTYOVXFSLVGNKT-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.30
Rot. Bonds5

About 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide

4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide (PubChem CID 143926815) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide
PubChem CID143926815
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide
SMILESCCOc1nc(C=O)cc(N)c1C#N.CNNC(=O)c1ccccc1
InChIInChI=1S/C9H9N3O2.C8H10N2O/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-9-10-8(11)7-5-3-2-4-6-7/h3,5H,2H2,1H3,(H2,11,12);2-6,9H,1H3,(H,10,11)
InChIKeyQTYOVXFSLVGNKT-UHFFFAOYSA-N
XLogP1.30
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide?
The IUPAC name of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide (CID 143926815) is 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide.
What is the SMILES notation for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide?
The canonical SMILES for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide is CCOc1nc(C=O)cc(N)c1C#N.CNNC(=O)c1ccccc1.
What is the InChIKey of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide?
The InChIKey is QTYOVXFSLVGNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.C8H10N2O/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-9-10-8(11)7-5-3-2-4-6-7/h3,5H,2H2,1H3,(H2,11,12);2-6,9H,1H3,(H,10,11).
What are the key properties of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide?
4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide has a molecular weight of 341.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide is sourced from PubChem (CID 143926815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).