2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide

C24H18N4OS — CID 129254430

IUPAC2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2nc(C3=CCC=C3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C24H18N4OS/c29-24(26-14-16-4-3-10-25-13-16)18-7-8-20-21(12-18)28-23(19-9-11-30-15-19)22(27-20)17-5-1-2-6-17/h1,3-13,15H,2,14H2,(H,26,29)
InChIKeyZOIPZFSOMIEEQX-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.03
Rot. Bonds5

About 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide

2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide (PubChem CID 129254430) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide
PubChem CID129254430
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2nc(C3=CCC=C3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C24H18N4OS/c29-24(26-14-16-4-3-10-25-13-16)18-7-8-20-21(12-18)28-23(19-9-11-30-15-19)22(27-20)17-5-1-2-6-17/h1,3-13,15H,2,14H2,(H,26,29)
InChIKeyZOIPZFSOMIEEQX-UHFFFAOYSA-N
XLogP5.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide with MolForge

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Related Compounds

2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
N-(1,3-benzodioxol-5-ylmethyl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide
CID 6502069
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 100787093
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide (CID 129254430) is 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide is O=C(NCc1cccnc1)c1ccc2nc(C3=CCC=C3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide?
The InChIKey is ZOIPZFSOMIEEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c29-24(26-14-16-4-3-10-25-13-16)18-7-8-20-21(12-18)28-23(19-9-11-30-15-19)22(27-20)17-5-1-2-6-17/h1,3-13,15H,2,14H2,(H,26,29).
What are the key properties of 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide?
2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129254430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).