2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C21H26N4O3 — CID 42111189

IUPAC2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NCc1cccnc1
InChIInChI=1S/C21H26N4O3/c26-19(23-13-15-6-5-11-22-12-15)14-24-18-10-4-9-17(18)20(27)25(21(24)28)16-7-2-1-3-8-16/h5-6,11-12,16H,1-4,7-10,13-14H2,(H,23,26)
InChIKeyHTCAZYONYNTQAZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.72
Rot. Bonds5

About 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42111189) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID42111189
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NCc1cccnc1
InChIInChI=1S/C21H26N4O3/c26-19(23-13-15-6-5-11-22-12-15)14-24-18-10-4-9-17(18)20(27)25(21(24)28)16-7-2-1-3-8-16/h5-6,11-12,16H,1-4,7-10,13-14H2,(H,23,26)
InChIKeyHTCAZYONYNTQAZ-UHFFFAOYSA-N
XLogP1.72
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 42111189) is 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NCc1cccnc1.
What is the InChIKey of 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HTCAZYONYNTQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19(23-13-15-6-5-11-22-12-15)14-24-18-10-4-9-17(18)20(27)25(21(24)28)16-7-2-1-3-8-16/h5-6,11-12,16H,1-4,7-10,13-14H2,(H,23,26).
What are the key properties of 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42111189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).