N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide

C15H14N4O2 — CID 63768495

IUPACN-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C15H14N4O2/c1-10-6-15(21)19(11(2)17-10)9-14(20)18-13-5-3-4-12(7-13)8-16/h3-7H,9H2,1-2H3,(H,18,20)
InChIKeyPZALZKVXRLGURF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.37
Rot. Bonds3

About N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide

N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 63768495) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID63768495
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C15H14N4O2/c1-10-6-15(21)19(11(2)17-10)9-14(20)18-13-5-3-4-12(7-13)8-16/h3-7H,9H2,1-2H3,(H,18,20)
InChIKeyPZALZKVXRLGURF-UHFFFAOYSA-N
XLogP1.37
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158170
N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39157829
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748899
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
3-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63768840
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 53201654
N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195702
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide (CID 63768495) is N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(C)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is PZALZKVXRLGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-6-15(21)19(11(2)17-10)9-14(20)18-13-5-3-4-12(7-13)8-16/h3-7H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63768495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).