2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide

C18H17N3O3 — CID 171914096

IUPAC2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCCc3cnccn3)cc(=O)oc2c1
InChIInChI=1S/C18H17N3O3/c1-12-2-3-15-13(10-18(23)24-16(15)8-12)9-17(22)21-5-4-14-11-19-6-7-20-14/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,21,22)
InChIKeyRKRCQBWBRRIDDG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.79
Rot. Bonds5

About 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide

2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide (PubChem CID 171914096) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide
PubChem CID171914096
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCCc3cnccn3)cc(=O)oc2c1
InChIInChI=1S/C18H17N3O3/c1-12-2-3-15-13(10-18(23)24-16(15)8-12)9-17(22)21-5-4-14-11-19-6-7-20-14/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,21,22)
InChIKeyRKRCQBWBRRIDDG-UHFFFAOYSA-N
XLogP1.79
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
3-(7-methyl-2-oxochromen-4-yl)-2-oxopropanoic acid
CID 12820491
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41126634
5-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]pentylcarbamic acid
CID 87148125
N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909711
2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 171910173
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180290

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide?
The IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide (CID 171914096) is 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide?
The canonical SMILES for 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide is Cc1ccc2c(CC(=O)NCCc3cnccn3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide?
The InChIKey is RKRCQBWBRRIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-2-3-15-13(10-18(23)24-16(15)8-12)9-17(22)21-5-4-14-11-19-6-7-20-14/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,21,22).
What are the key properties of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide?
2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide is sourced from PubChem (CID 171914096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).