2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

C18H24N4O3 — CID 38672078

IUPAC2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-12-3-5-14(6-4-12)20(2)16(23)11-22-17(24)13(9-19)10-21(18(22)25)15-7-8-15/h10,12,14-15H,3-8,11H2,1-2H3
InChIKeyFBYLLVLMSBHCGE-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.25
Rot. Bonds4

About 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 38672078) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID38672078
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-12-3-5-14(6-4-12)20(2)16(23)11-22-17(24)13(9-19)10-21(18(22)25)15-7-8-15/h10,12,14-15H,3-8,11H2,1-2H3
InChIKeyFBYLLVLMSBHCGE-UHFFFAOYSA-N
XLogP1.25
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 38672304
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide
CID 36992089
1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
CID 38670791
1-cyclopropyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 38671582
3-[2-(4-bromophenyl)sulfonylethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 38672862
N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
CID 55753590
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656576
N-[4-[(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55753620
2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114653142
N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
CID 63810760
1-cyclopropyl-3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 38778726
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 38672078) is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)CC1.
What is the InChIKey of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is FBYLLVLMSBHCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-3-5-14(6-4-12)20(2)16(23)11-22-17(24)13(9-19)10-21(18(22)25)15-7-8-15/h10,12,14-15H,3-8,11H2,1-2H3.
What are the key properties of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 38672078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).