N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide

C22H14N4OS2 — CID 2300708

IUPACN-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H14N4OS2/c27-22(24-15-4-1-9-23-13-15)14-7-8-16-17(12-14)26-21(19-6-3-11-29-19)20(25-16)18-5-2-10-28-18/h1-13H,(H,24,27)
InChIKeyUMCMIMKYFLBDNK-UHFFFAOYSA-N
MW414.52 g/mol
LogP5.73
Rot. Bonds4

About N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide

N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide (PubChem CID 2300708) has the molecular formula C22H14N4OS2 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
PubChem CID2300708
Molecular FormulaC22H14N4OS2
Molecular Weight414.52 g/mol
Exact Mass414.06
IUPAC NameN-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H14N4OS2/c27-22(24-15-4-1-9-23-13-15)14-7-8-16-17(12-14)26-21(19-6-3-11-29-19)20(25-16)18-5-2-10-28-18/h1-13H,(H,24,27)
InChIKeyUMCMIMKYFLBDNK-UHFFFAOYSA-N
XLogP5.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide
CID 4253586
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55975946
2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium
CID 3713317
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide?
The IUPAC name of N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide (CID 2300708) is N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide is O=C(Nc1cccnc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1.
What is the InChIKey of N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide?
The InChIKey is UMCMIMKYFLBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4OS2/c27-22(24-15-4-1-9-23-13-15)14-7-8-16-17(12-14)26-21(19-6-3-11-29-19)20(25-16)18-5-2-10-28-18/h1-13H,(H,24,27).
What are the key properties of N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide?
N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide has a molecular weight of 414.52 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 2300708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).