N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide

C25H30N6O3 — CID 67052168

IUPACN-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nc(NC(=O)CN3CCN(CC(=O)C(C)C)CC3)cc(-c3ccccn3)n2)o1
InChIInChI=1S/C25H30N6O3/c1-17(2)21(32)15-30-10-12-31(13-11-30)16-24(33)28-23-14-20(19-6-4-5-9-26-19)27-25(29-23)22-8-7-18(3)34-22/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,28,29,33)
InChIKeyARYSRCYDUDJCRM-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.89
Rot. Bonds8

About N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide

N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide (PubChem CID 67052168) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide
PubChem CID67052168
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nc(NC(=O)CN3CCN(CC(=O)C(C)C)CC3)cc(-c3ccccn3)n2)o1
InChIInChI=1S/C25H30N6O3/c1-17(2)21(32)15-30-10-12-31(13-11-30)16-24(33)28-23-14-20(19-6-4-5-9-26-19)27-25(29-23)22-8-7-18(3)34-22/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,28,29,33)
InChIKeyARYSRCYDUDJCRM-UHFFFAOYSA-N
XLogP2.89
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide (CID 67052168) is N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide is Cc1ccc(-c2nc(NC(=O)CN3CCN(CC(=O)C(C)C)CC3)cc(-c3ccccn3)n2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide?
The InChIKey is ARYSRCYDUDJCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-17(2)21(32)15-30-10-12-31(13-11-30)16-24(33)28-23-14-20(19-6-4-5-9-26-19)27-25(29-23)22-8-7-18(3)34-22/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,28,29,33).
What are the key properties of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide?
N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide has a molecular weight of 462.55 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 67052168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).