2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide

C23H35N5O — CID 122320232

IUPAC2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N5O/c1-27(2)21-19(15-24-22(26-21)28-6-4-3-5-7-28)25-20(29)14-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-18H,3-14H2,1-2H3,(H,25,29)
InChIKeyYNIOJRRBRPLKMQ-UHFFFAOYSA-N
MW397.57 g/mol
LogP4.08
Rot. Bonds5

About 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide

2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide (PubChem CID 122320232) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
PubChem CID122320232
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N5O/c1-27(2)21-19(15-24-22(26-21)28-6-4-3-5-7-28)25-20(29)14-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-18H,3-14H2,1-2H3,(H,25,29)
InChIKeyYNIOJRRBRPLKMQ-UHFFFAOYSA-N
XLogP4.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 122319908
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122320309
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 91969330
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
CID 91969320
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353151
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122320015
3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
CID 122320244
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide (CID 122320232) is 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
The InChIKey is YNIOJRRBRPLKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-27(2)21-19(15-24-22(26-21)28-6-4-3-5-7-28)25-20(29)14-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-18H,3-14H2,1-2H3,(H,25,29).
What are the key properties of 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide has a molecular weight of 397.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 122320232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).