N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

C24H18N4O4 — CID 24878672

IUPACN-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5c(c4)C(=O)OC5)n3)cccc12
InChIInChI=1S/C24H18N4O4/c1-14(29)26-20-6-2-5-18-17(20)4-3-7-21(18)32-23-12-25-11-22(28-23)27-16-9-8-15-13-31-24(30)19(15)10-16/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyZGVRPYHMLAOXSC-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.79
Rot. Bonds5

About N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (PubChem CID 24878672) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
PubChem CID24878672
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC NameN-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5c(c4)C(=O)OC5)n3)cccc12
InChIInChI=1S/C24H18N4O4/c1-14(29)26-20-6-2-5-18-17(20)4-3-7-21(18)32-23-12-25-11-22(28-23)27-16-9-8-15-13-31-24(30)19(15)10-16/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyZGVRPYHMLAOXSC-UHFFFAOYSA-N
XLogP4.79
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24863189
N-{5-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24878671
(R)-2-(1-(3,4-dimethoxyphenyl)-4-(6-methoxypyrazin-2-ylamino)butyl)-4-(4-ethylpiperazin-1-yl)isoindolin-1-one
CID 45487748
N-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-3-(trifluoromethoxy)benzamide
CID 44185901
Ethyl 3-[1-(3-phenoxypyrazin-2-YL)piperidine-4-amido]benzoate
CID 46392103
Ethyl 4-[1-(3-phenoxypyrazin-2-YL)piperidine-4-amido]benzoate
CID 46392109
Ethyl 3-{[(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)carbonyl]amino}benzoate
CID 50838244
3-[5-[(2S)-4-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-methyl-5-oxopiperazin-1-yl]-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178771969
3-[5-[(3R)-4-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-3-methyl-5-oxopiperazin-1-yl]-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178772253
N-(3,4-dimethylphenyl)-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide
CID 46394278
N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide
CID 58024428
2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553384

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (CID 24878672) is N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5c(c4)C(=O)OC5)n3)cccc12.
What is the InChIKey of N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The InChIKey is ZGVRPYHMLAOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-14(29)26-20-6-2-5-18-17(20)4-3-7-21(18)32-23-12-25-11-22(28-23)27-16-9-8-15-13-31-24(30)19(15)10-16/h2-12H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide has a molecular weight of 426.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is sourced from PubChem (CID 24878672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).