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

C16H16N4O2 — CID 43824241

IUPACN-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccccc2C#N)c(=O)n1
InChIInChI=1S/C16H16N4O2/c1-11-9-12(2)20(16(22)18-11)8-7-15(21)19-14-6-4-3-5-13(14)10-17/h3-6,9H,7-8H2,1-2H3,(H,19,21)
InChIKeyAZHXZXWKXMXSEX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.76
Rot. Bonds4

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

N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 43824241) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID43824241
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccccc2C#N)c(=O)n1
InChIInChI=1S/C16H16N4O2/c1-11-9-12(2)20(16(22)18-11)8-7-15(21)19-14-6-4-3-5-13(14)10-17/h3-6,9H,7-8H2,1-2H3,(H,19,21)
InChIKeyAZHXZXWKXMXSEX-UHFFFAOYSA-N
XLogP1.76
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]benzonitrile
CID 24696417
N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
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N-(2-cyanophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
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N-(2-cyanophenyl)-3-hydroxypropanamide
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N-(2-cyanophenyl)-2-(methylamino)acetamide
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CID 46996262
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695411
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
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ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(2-cyanophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922534
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (CID 43824241) is N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2ccccc2C#N)c(=O)n1.
What is the InChIKey of N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is AZHXZXWKXMXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-9-12(2)20(16(22)18-11)8-7-15(21)19-14-6-4-3-5-13(14)10-17/h3-6,9H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 43824241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).