2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide

C13H17N5O — CID 102984187

IUPAC2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc2ccccc2nc1N
InChIInChI=1S/C13H17N5O/c1-3-15-13(19)8(2)16-12-11(14)17-9-6-4-5-7-10(9)18-12/h4-8H,3H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)
InChIKeyDNARUAGIRFDZMH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.15
Rot. Bonds4

About 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide

2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide (PubChem CID 102984187) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
PubChem CID102984187
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc2ccccc2nc1N
InChIInChI=1S/C13H17N5O/c1-3-15-13(19)8(2)16-12-11(14)17-9-6-4-5-7-10(9)18-12/h4-8H,3H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)
InChIKeyDNARUAGIRFDZMH-UHFFFAOYSA-N
XLogP1.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80800082
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
N-ethyl-2-[(6-methyl-2-pyridinyl)amino]propanamide
CID 61480114
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61480191
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
CID 102984132

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide (CID 102984187) is 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc2ccccc2nc1N.
What is the InChIKey of 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide?
The InChIKey is DNARUAGIRFDZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-15-13(19)8(2)16-12-11(14)17-9-6-4-5-7-10(9)18-12/h4-8H,3H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18).
What are the key properties of 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide?
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 102984187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).