2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

C18H17N5O4 — CID 132605882

IUPAC2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SMILESCOc1ccc(-c2[nH]c3c(c2C(C#N)C(N)=O)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H17N5O4/c1-22-16-13(17(25)23(2)18(22)26)12(11(8-19)15(20)24)14(21-16)9-4-6-10(27-3)7-5-9/h4-7,11,21H,1-3H3,(H2,20,24)
InChIKeyMRZUCDPABQFCNJ-UHFFFAOYSA-N
MW367.37 g/mol
LogP0.33
Rot. Bonds4

About 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide (PubChem CID 132605882) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
PubChem CID132605882
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SMILESCOc1ccc(-c2[nH]c3c(c2C(C#N)C(N)=O)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H17N5O4/c1-22-16-13(17(25)23(2)18(22)26)12(11(8-19)15(20)24)14(21-16)9-4-6-10(27-3)7-5-9/h4-7,11,21H,1-3H3,(H2,20,24)
InChIKeyMRZUCDPABQFCNJ-UHFFFAOYSA-N
XLogP0.33
TPSA135.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-chloro-2-(3-methoxyphenyl)-4-oxo-1H-chromeno[4,3-b]pyrrol-3-yl]-2-cyanoacetamide
CID 156631087
prop-2-enyl 5-(4-methoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 78363787
2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
5-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 101455197
6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751517
2-(4-methoxyphenyl)-3-(oxan-2-yl)-3-oxopropanenitrile
CID 55047712
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4896739
(5R)-7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 126085811
7-amino-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476622
CID 102206658
CID 102206658
1-[cyano-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 84817743

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The IUPAC name of 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide (CID 132605882) is 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide is COc1ccc(-c2[nH]c3c(c2C(C#N)C(N)=O)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The InChIKey is MRZUCDPABQFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-22-16-13(17(25)23(2)18(22)26)12(11(8-19)15(20)24)14(21-16)9-4-6-10(27-3)7-5-9/h4-7,11,21H,1-3H3,(H2,20,24).
What are the key properties of 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[6-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 132605882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).