N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide

C14H9FN4O — CID 104578190

IUPACN-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(F)nc1)c1cccc2nccnc12
InChIInChI=1S/C14H9FN4O/c15-12-5-4-9(8-18-12)19-14(20)10-2-1-3-11-13(10)17-7-6-16-11/h1-8H,(H,19,20)
InChIKeyDNNQUQKOBQNUNW-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.42
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide

N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide (PubChem CID 104578190) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
PubChem CID104578190
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC NameN-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(F)nc1)c1cccc2nccnc12
InChIInChI=1S/C14H9FN4O/c15-12-5-4-9(8-18-12)19-14(20)10-2-1-3-11-13(10)17-7-6-16-11/h1-8H,(H,19,20)
InChIKeyDNNQUQKOBQNUNW-UHFFFAOYSA-N
XLogP2.42
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759
N-(6-fluoro-3-pyridinyl)-2-iodobenzamide
CID 103789921
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 110701458
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
CID 104613994

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide (CID 104578190) is N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide is O=C(Nc1ccc(F)nc1)c1cccc2nccnc12.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide?
The InChIKey is DNNQUQKOBQNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c15-12-5-4-9(8-18-12)19-14(20)10-2-1-3-11-13(10)17-7-6-16-11/h1-8H,(H,19,20).
What are the key properties of N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide?
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide has a molecular weight of 268.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104578190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).