3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine

C16H15N5 — CID 2866223

IUPAC3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine
SMILESCC(=NNc1nc2ccccc2nc1C)c1cccnc1
InChIInChI=1S/C16H15N5/c1-11(13-6-5-9-17-10-13)20-21-16-12(2)18-14-7-3-4-8-15(14)19-16/h3-10H,1-2H3,(H,19,21)
InChIKeyVKUBIIWIYUAQES-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.17
Rot. Bonds3

About 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine

3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine (PubChem CID 2866223) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine
PubChem CID2866223
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine
SMILESCC(=NNc1nc2ccccc2nc1C)c1cccnc1
InChIInChI=1S/C16H15N5/c1-11(13-6-5-9-17-10-13)20-21-16-12(2)18-14-7-3-4-8-15(14)19-16/h3-10H,1-2H3,(H,19,21)
InChIKeyVKUBIIWIYUAQES-UHFFFAOYSA-N
XLogP3.17
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine (CID 2866223) is 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine is CC(=NNc1nc2ccccc2nc1C)c1cccnc1.
What is the InChIKey of 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine?
The InChIKey is VKUBIIWIYUAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-11(13-6-5-9-17-10-13)20-21-16-12(2)18-14-7-3-4-8-15(14)19-16/h3-10H,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine?
3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine is sourced from PubChem (CID 2866223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).