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

C21H22N4O4 — CID 38672304

IUPAC2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)C2CC2)cc1
InChIInChI=1S/C21H22N4O4/c1-29-18-8-2-14(3-9-18)11-23(16-4-5-16)19(26)13-25-20(27)15(10-22)12-24(21(25)28)17-6-7-17/h2-3,8-9,12,16-17H,4-7,11,13H2,1H3
InChIKeyOHUHKKHQCJSKII-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.42
Rot. Bonds7

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

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 38672304) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID38672304
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)C2CC2)cc1
InChIInChI=1S/C21H22N4O4/c1-29-18-8-2-14(3-9-18)11-23(16-4-5-16)19(26)13-25-20(27)15(10-22)12-24(21(25)28)17-6-7-17/h2-3,8-9,12,16-17H,4-7,11,13H2,1H3
InChIKeyOHUHKKHQCJSKII-UHFFFAOYSA-N
XLogP1.42
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55597146
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-ethylacetamide
CID 36992089
2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34527953
1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992730
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 9492189
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 55622541
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 38672304) is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)C2CC2)cc1.
What is the InChIKey of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is OHUHKKHQCJSKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-29-18-8-2-14(3-9-18)11-23(16-4-5-16)19(26)13-25-20(27)15(10-22)12-24(21(25)28)17-6-7-17/h2-3,8-9,12,16-17H,4-7,11,13H2,1H3.
What are the key properties of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 38672304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).