N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide

C21H24N4O3 — CID 51363664

IUPACN-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
SMILESCn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C21H24N4O3/c1-23-12-16(14-8-4-3-5-9-14)18-19(23)20(27)24(2)21(28)25(18)13-17(26)22-15-10-6-7-11-15/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,22,26)
InChIKeyXSQGKRLBMXOGAS-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.76
Rot. Bonds4

About N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide

N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 51363664) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID51363664
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
SMILESCn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C21H24N4O3/c1-23-12-16(14-8-4-3-5-9-14)18-19(23)20(27)24(2)21(28)25(18)13-17(26)22-15-10-6-7-11-15/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,22,26)
InChIKeyXSQGKRLBMXOGAS-UHFFFAOYSA-N
XLogP1.76
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
CID 51363720
N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
CID 26435326
N-cycloheptyl-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680359
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-cycloheptylacetamide
CID 51139859
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
N-cyclohexyl-2-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylbenzimidazol-1-yl]acetamide
CID 1261825
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-cycloheptylacetamide
CID 53116238
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 71821831
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-cyclohexylacetamide
CID 1173813
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054967

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide (CID 51363664) is N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide is Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NC2CCCC2)c1=O.
What is the InChIKey of N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is XSQGKRLBMXOGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23-12-16(14-8-4-3-5-9-14)18-19(23)20(27)24(2)21(28)25(18)13-17(26)22-15-10-6-7-11-15/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 51363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).