N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

C15H14N4O2 — CID 121064373

IUPACN-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C15H14N4O2/c1-2-12-7-15(21)19(10-17-12)9-14(20)18-13-6-4-3-5-11(13)8-16/h3-7,10H,2,9H2,1H3,(H,18,20)
InChIKeyZWDCQFJWABGOBD-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.32
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064373) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID121064373
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C15H14N4O2/c1-2-12-7-15(21)19(10-17-12)9-14(20)18-13-6-4-3-5-11(13)8-16/h3-7,10H,2,9H2,1H3,(H,18,20)
InChIKeyZWDCQFJWABGOBD-UHFFFAOYSA-N
XLogP1.32
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 798673
N-(2-cyanophenyl)-2-(4,5-dicyanoimidazol-1-yl)acetamide
CID 115944720
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-cyano-4-nitrophenyl)acetamide
CID 121063612
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121063523
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide
CID 3616564
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 121064311

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (CID 121064373) is N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is CCc1cc(=O)n(CC(=O)Nc2ccccc2C#N)cn1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZWDCQFJWABGOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-12-7-15(21)19(10-17-12)9-14(20)18-13-6-4-3-5-11(13)8-16/h3-7,10H,2,9H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).