5-[(3-aminoquinoxalin-2-yl)amino]pentanamide

C13H17N5O — CID 106241523

IUPAC5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc2ccccc2nc1N
InChIInChI=1S/C13H17N5O/c14-11(19)7-3-4-8-16-13-12(15)17-9-5-1-2-6-10(9)18-13/h1-2,5-6H,3-4,7-8H2,(H2,14,19)(H2,15,17)(H,16,18)
InChIKeyHNQRHDWOCBLYLF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.28
Rot. Bonds6

About 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide

5-[(3-aminoquinoxalin-2-yl)amino]pentanamide (PubChem CID 106241523) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
PubChem CID106241523
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc2ccccc2nc1N
InChIInChI=1S/C13H17N5O/c14-11(19)7-3-4-8-16-13-12(15)17-9-5-1-2-6-10(9)18-13/h1-2,5-6H,3-4,7-8H2,(H2,14,19)(H2,15,17)(H,16,18)
InChIKeyHNQRHDWOCBLYLF-UHFFFAOYSA-N
XLogP1.28
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
4-[(2-aminoquinazolin-4-yl)amino]butanamide
CID 80790515
3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide
CID 106174445
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
hexanediamide;naphthalene
CID 175366237
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide?
The IUPAC name of 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide (CID 106241523) is 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide.
What is the SMILES notation for 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide?
The canonical SMILES for 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide is NC(=O)CCCCNc1nc2ccccc2nc1N.
What is the InChIKey of 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide?
The InChIKey is HNQRHDWOCBLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-11(19)7-3-4-8-16-13-12(15)17-9-5-1-2-6-10(9)18-13/h1-2,5-6H,3-4,7-8H2,(H2,14,19)(H2,15,17)(H,16,18).
What are the key properties of 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide?
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide has a molecular weight of 259.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminoquinoxalin-2-yl)amino]pentanamide is sourced from PubChem (CID 106241523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).