N-butan-2-ylquinoxaline-5-carboxamide

C13H15N3O — CID 110701330

IUPACN-butan-2-ylquinoxaline-5-carboxamide
SMILESCCC(C)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H15N3O/c1-3-9(2)16-13(17)10-5-4-6-11-12(10)15-8-7-14-11/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyLMGYMHNZYNVTHY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.16
Rot. Bonds3

About N-butan-2-ylquinoxaline-5-carboxamide

N-butan-2-ylquinoxaline-5-carboxamide (PubChem CID 110701330) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-butan-2-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-ylquinoxaline-5-carboxamide
PubChem CID110701330
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-butan-2-ylquinoxaline-5-carboxamide
SMILESCCC(C)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H15N3O/c1-3-9(2)16-13(17)10-5-4-6-11-12(10)15-8-7-14-11/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyLMGYMHNZYNVTHY-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxaline-5-carboxamide
CID 131925216
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-[1-bromo-2-(bromomethyl)butan-2-yl]quinoxaline-5-carboxamide
CID 107868181

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylquinoxaline-5-carboxamide?
The IUPAC name of N-butan-2-ylquinoxaline-5-carboxamide (CID 110701330) is N-butan-2-ylquinoxaline-5-carboxamide.
What is the SMILES notation for N-butan-2-ylquinoxaline-5-carboxamide?
The canonical SMILES for N-butan-2-ylquinoxaline-5-carboxamide is CCC(C)NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-butan-2-ylquinoxaline-5-carboxamide?
The InChIKey is LMGYMHNZYNVTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-9(2)16-13(17)10-5-4-6-11-12(10)15-8-7-14-11/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-ylquinoxaline-5-carboxamide?
N-butan-2-ylquinoxaline-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 110701330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).