4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine

C17H21N5O2 — CID 143926980

IUPAC4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine
SMILESCCOc1nc(C=O)cc(N)c1C#N.CNCCc1ccncc1
InChIInChI=1S/C9H9N3O2.C8H12N2/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-9-5-2-8-3-6-10-7-4-8/h3,5H,2H2,1H3,(H2,11,12);3-4,6-7,9H,2,5H2,1H3
InChIKeyCACVPHQEOVWKMY-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.59
Rot. Bonds6

About 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine

4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine (PubChem CID 143926980) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine
PubChem CID143926980
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine
SMILESCCOc1nc(C=O)cc(N)c1C#N.CNCCc1ccncc1
InChIInChI=1S/C9H9N3O2.C8H12N2/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-9-5-2-8-3-6-10-7-4-8/h3,5H,2H2,1H3,(H2,11,12);3-4,6-7,9H,2,5H2,1H3
InChIKeyCACVPHQEOVWKMY-UHFFFAOYSA-N
XLogP1.59
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine (CID 143926980) is 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine is CCOc1nc(C=O)cc(N)c1C#N.CNCCc1ccncc1.
What is the InChIKey of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is CACVPHQEOVWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.C8H12N2/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-9-5-2-8-3-6-10-7-4-8/h3,5H,2H2,1H3,(H2,11,12);3-4,6-7,9H,2,5H2,1H3.
What are the key properties of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine?
4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 327.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 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-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 143926980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).