N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide

C26H30N4O2 — CID 50751143

IUPACN-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CN3CCC(C)CC3)n2)cc1
InChIInChI=1S/C26H30N4O2/c1-18-4-6-20(7-5-18)23-16-24(21-8-10-22(32-3)11-9-21)28-26(27-23)29-25(31)17-30-14-12-19(2)13-15-30/h4-11,16,19H,12-15,17H2,1-3H3,(H,27,28,29,31)
InChIKeyUGYYUQXLNJTTHY-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.80
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide

N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 50751143) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID50751143
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CN3CCC(C)CC3)n2)cc1
InChIInChI=1S/C26H30N4O2/c1-18-4-6-20(7-5-18)23-16-24(21-8-10-22(32-3)11-9-21)28-26(27-23)29-25(31)17-30-14-12-19(2)13-15-30/h4-11,16,19H,12-15,17H2,1-3H3,(H,27,28,29,31)
InChIKeyUGYYUQXLNJTTHY-UHFFFAOYSA-N
XLogP4.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide (CID 50751143) is N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide is COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CN3CCC(C)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is UGYYUQXLNJTTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-4-6-20(7-5-18)23-16-24(21-8-10-22(32-3)11-9-21)28-26(27-23)29-25(31)17-30-14-12-19(2)13-15-30/h4-11,16,19H,12-15,17H2,1-3H3,(H,27,28,29,31).
What are the key properties of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 50751143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).