N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide

C16H14N4O3 — CID 110396450

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccncc1
InChIInChI=1S/C16H14N4O3/c21-14(11-5-7-17-8-6-11)18-9-10-20-13-4-2-1-3-12(13)19-15(22)16(20)23/h1-8H,9-10H2,(H,18,21)(H,19,22)
InChIKeyMQFWESHAXZJCOL-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide (PubChem CID 110396450) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
PubChem CID110396450
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccncc1
InChIInChI=1S/C16H14N4O3/c21-14(11-5-7-17-8-6-11)18-9-10-20-13-4-2-1-3-12(13)19-15(22)16(20)23/h1-8H,9-10H2,(H,18,21)(H,19,22)
InChIKeyMQFWESHAXZJCOL-UHFFFAOYSA-N
XLogP0.51
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
CID 110396408
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
CID 110396405
2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 110396413
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 71705470
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110396503

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide (CID 110396450) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide is O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccncc1.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is MQFWESHAXZJCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14(11-5-7-17-8-6-11)18-9-10-20-13-4-2-1-3-12(13)19-15(22)16(20)23/h1-8H,9-10H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110396450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).