N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

C24H26N4O — CID 92727503

IUPACN-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c1-18-10-8-9-15-28(18)17-23(29)27-24-25-21(19-11-4-2-5-12-19)16-22(26-24)20-13-6-3-7-14-20/h2-7,11-14,16,18H,8-10,15,17H2,1H3,(H,25,26,27,29)/t18-/m1/s1
InChIKeyXNWSRGWFGPGAFM-GOSISDBHSA-N
MW386.50 g/mol
LogP4.62
Rot. Bonds5

About N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (PubChem CID 92727503) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
PubChem CID92727503
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c1-18-10-8-9-15-28(18)17-23(29)27-24-25-21(19-11-4-2-5-12-19)16-22(26-24)20-13-6-3-7-14-20/h2-7,11-14,16,18H,8-10,15,17H2,1H3,(H,25,26,27,29)/t18-/m1/s1
InChIKeyXNWSRGWFGPGAFM-GOSISDBHSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (CID 92727503) is N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCCN1CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is XNWSRGWFGPGAFM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-10-8-9-15-28(18)17-23(29)27-24-25-21(19-11-4-2-5-12-19)16-22(26-24)20-13-6-3-7-14-20/h2-7,11-14,16,18H,8-10,15,17H2,1H3,(H,25,26,27,29)/t18-/m1/s1.
What are the key properties of N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 92727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).