N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide

C16H14N4O3 — CID 163318556

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide
SMILESO=C(NCC(O)c1cccc(=O)[nH]1)c1cccc2nccnc12
InChIInChI=1S/C16H14N4O3/c21-13(11-4-2-6-14(22)20-11)9-19-16(23)10-3-1-5-12-15(10)18-8-7-17-12/h1-8,13,21H,9H2,(H,19,23)(H,20,22)
InChIKeyVNHOGTNNWSESNL-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.78
Rot. Bonds4

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide (PubChem CID 163318556) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide
PubChem CID163318556
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide
SMILESO=C(NCC(O)c1cccc(=O)[nH]1)c1cccc2nccnc12
InChIInChI=1S/C16H14N4O3/c21-13(11-4-2-6-14(22)20-11)9-19-16(23)10-3-1-5-12-15(10)18-8-7-17-12/h1-8,13,21H,9H2,(H,19,23)(H,20,22)
InChIKeyVNHOGTNNWSESNL-UHFFFAOYSA-N
XLogP0.78
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 164690314
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 163318033
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
CID 104580556

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide (CID 163318556) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide is O=C(NCC(O)c1cccc(=O)[nH]1)c1cccc2nccnc12.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide?
The InChIKey is VNHOGTNNWSESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-13(11-4-2-6-14(22)20-11)9-19-16(23)10-3-1-5-12-15(10)18-8-7-17-12/h1-8,13,21H,9H2,(H,19,23)(H,20,22).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 163318556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).