2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide

C26H34N4O — CID 98133702

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C[C@@H]3C=CCC3)CC2)n1
InChIInChI=1S/C26H34N4O/c1-18(2)26-29-17-23(21-11-13-27-14-12-21)25(30-26)22-9-7-20(8-10-22)16-28-24(31)15-19-5-3-4-6-19/h3,5,11-14,17-20,22H,4,6-10,15-16H2,1-2H3,(H,28,31)/t19-,20?,22?/m1/s1
InChIKeyJQYNDBPUWAMTQW-VRKFHHGPSA-N
MW418.59 g/mol
LogP5.41
Rot. Bonds7

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide (PubChem CID 98133702) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
PubChem CID98133702
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C[C@@H]3C=CCC3)CC2)n1
InChIInChI=1S/C26H34N4O/c1-18(2)26-29-17-23(21-11-13-27-14-12-21)25(30-26)22-9-7-20(8-10-22)16-28-24(31)15-19-5-3-4-6-19/h3,5,11-14,17-20,22H,4,6-10,15-16H2,1-2H3,(H,28,31)/t19-,20?,22?/m1/s1
InChIKeyJQYNDBPUWAMTQW-VRKFHHGPSA-N
XLogP5.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide (CID 98133702) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide is CC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C[C@@H]3C=CCC3)CC2)n1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
The InChIKey is JQYNDBPUWAMTQW-VRKFHHGPSA-N. The full InChI is InChI=1S/C26H34N4O/c1-18(2)26-29-17-23(21-11-13-27-14-12-21)25(30-26)22-9-7-20(8-10-22)16-28-24(31)15-19-5-3-4-6-19/h3,5,11-14,17-20,22H,4,6-10,15-16H2,1-2H3,(H,28,31)/t19-,20?,22?/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide has a molecular weight of 418.59 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98133702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).