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

C14H12N4O2 — CID 61224567

IUPACN-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C14H12N4O2/c1-10-5-14(20)18(9-16-10)8-13(19)17-12-4-2-3-11(6-12)7-15/h2-6,9H,8H2,1H3,(H,17,19)
InChIKeyLDFBUJIDUVFWAH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.06
Rot. Bonds3

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

N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 61224567) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID61224567
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C14H12N4O2/c1-10-5-14(20)18(9-16-10)8-13(19)17-12-4-2-3-11(6-12)7-15/h2-6,9H,8H2,1H3,(H,17,19)
InChIKeyLDFBUJIDUVFWAH-UHFFFAOYSA-N
XLogP1.06
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269
N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602361
N-(3-cyanophenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595307
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
N-(3-cyanophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2094847
N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
CID 63768672
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 61224567) is N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)cn1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is LDFBUJIDUVFWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-5-14(20)18(9-16-10)8-13(19)17-12-4-2-3-11(6-12)7-15/h2-6,9H,8H2,1H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.06, 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-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 61224567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).