2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine

C16H16N4 — CID 60914777

IUPAC2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESc1cncc(CCNCc2cnc3ccccc3n2)c1
InChIInChI=1S/C16H16N4/c1-2-6-16-15(5-1)19-12-14(20-16)11-18-9-7-13-4-3-8-17-10-13/h1-6,8,10,12,18H,7,9,11H2
InChIKeyXQRGANVEWSYFDU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.36
Rot. Bonds5

About 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine

2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 60914777) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID60914777
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESc1cncc(CCNCc2cnc3ccccc3n2)c1
InChIInChI=1S/C16H16N4/c1-2-6-16-15(5-1)19-12-14(20-16)11-18-9-7-13-4-3-8-17-10-13/h1-6,8,10,12,18H,7,9,11H2
InChIKeyXQRGANVEWSYFDU-UHFFFAOYSA-N
XLogP2.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368
N-methyl-2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 171914771
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 78921214
2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43766350
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
(E)-4-chloro-N-(2-pyridin-3-ylethyl)but-2-en-1-amine
CID 81429262
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine (CID 60914777) is 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine is c1cncc(CCNCc2cnc3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is XQRGANVEWSYFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-16-15(5-1)19-12-14(20-16)11-18-9-7-13-4-3-8-17-10-13/h1-6,8,10,12,18H,7,9,11H2.
What are the key properties of 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine?
2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 60914777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).