4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine

C16H21N5O2 — CID 143926929

IUPAC4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine
SMILESCCOc1nc(C=O)cc(N)c1C#N.CNCCn1cccc1
InChIInChI=1S/C9H9N3O2.C7H12N2/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-8-4-7-9-5-2-3-6-9/h3,5H,2H2,1H3,(H2,11,12);2-3,5-6,8H,4,7H2,1H3
InChIKeyTZRVFMKLUZOLAE-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.45
Rot. Bonds6

About 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine

4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine (PubChem CID 143926929) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine
PubChem CID143926929
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine
SMILESCCOc1nc(C=O)cc(N)c1C#N.CNCCn1cccc1
InChIInChI=1S/C9H9N3O2.C7H12N2/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-8-4-7-9-5-2-3-6-9/h3,5H,2H2,1H3,(H2,11,12);2-3,5-6,8H,4,7H2,1H3
InChIKeyTZRVFMKLUZOLAE-UHFFFAOYSA-N
XLogP1.45
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.45
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-pyrrol-1-ylethanamine?
The IUPAC name of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine (CID 143926929) is 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine.
What is the SMILES notation for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine?
The canonical SMILES for 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine is CCOc1nc(C=O)cc(N)c1C#N.CNCCn1cccc1.
What is the InChIKey of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine?
The InChIKey is TZRVFMKLUZOLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.C7H12N2/c1-2-14-9-7(4-10)8(11)3-6(5-13)12-9;1-8-4-7-9-5-2-3-6-9/h3,5H,2H2,1H3,(H2,11,12);2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine?
4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine has a molecular weight of 315.38 g/mol, XLogP of 1.45, 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-pyrrol-1-ylethanamine is sourced from PubChem (CID 143926929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).