N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

C16H22N4O3 — CID 53111836

IUPACN-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCn1c(=O)c2ccn(CC(=O)NC3CCCCC3)c2n(C)c1=O
InChIInChI=1S/C16H22N4O3/c1-18-14-12(15(22)19(2)16(18)23)8-9-20(14)10-13(21)17-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)
InChIKeySXAYDNHAYPYJBR-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.49
Rot. Bonds3

About N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (PubChem CID 53111836) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
PubChem CID53111836
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCn1c(=O)c2ccn(CC(=O)NC3CCCCC3)c2n(C)c1=O
InChIInChI=1S/C16H22N4O3/c1-18-14-12(15(22)19(2)16(18)23)8-9-20(14)10-13(21)17-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)
InChIKeySXAYDNHAYPYJBR-UHFFFAOYSA-N
XLogP0.49
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 22334244
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CID 116624888
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 32568404
N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111925
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119427693
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 120995731

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (CID 53111836) is N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is Cn1c(=O)c2ccn(CC(=O)NC3CCCCC3)c2n(C)c1=O.
What is the InChIKey of N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The InChIKey is SXAYDNHAYPYJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-18-14-12(15(22)19(2)16(18)23)8-9-20(14)10-13(21)17-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,21).
What are the key properties of N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 53111836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).