N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide

C23H28N4O2 — CID 20932087

IUPACN-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-n2c(C)c(C)c3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1
InChIInChI=1S/C23H28N4O2/c1-15-9-11-19(12-10-15)27-17(3)16(2)21-22(27)24-14-26(23(21)29)13-20(28)25-18-7-5-4-6-8-18/h9-12,14,18H,4-8,13H2,1-3H3,(H,25,28)
InChIKeyWNSRYOXIASHZJA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.56
Rot. Bonds4

About N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide

N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 20932087) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID20932087
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-n2c(C)c(C)c3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1
InChIInChI=1S/C23H28N4O2/c1-15-9-11-19(12-10-15)27-17(3)16(2)21-22(27)24-14-26(23(21)29)13-20(28)25-18-7-5-4-6-8-18/h9-12,14,18H,4-8,13H2,1-3H3,(H,25,28)
InChIKeyWNSRYOXIASHZJA-UHFFFAOYSA-N
XLogP3.56
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide (CID 20932087) is N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide is Cc1ccc(-n2c(C)c(C)c3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1.
What is the InChIKey of N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is WNSRYOXIASHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-9-11-19(12-10-15)27-17(3)16(2)21-22(27)24-14-26(23(21)29)13-20(28)25-18-7-5-4-6-8-18/h9-12,14,18H,4-8,13H2,1-3H3,(H,25,28).
What are the key properties of N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 20932087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).