4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

C21H28N4O2 — CID 126442623

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESCc1cc(C)nc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)n1
InChIInChI=1S/C21H28N4O2/c1-15-13-16(2)24-20(23-15)17-6-8-18(9-7-17)21(27)22-10-12-25-11-4-3-5-19(25)14-26/h6-9,13,19,26H,3-5,10-12,14H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyLMPZGEIZFRQXDB-LJQANCHMSA-N
MW368.48 g/mol
LogP2.34
Rot. Bonds6

About 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 126442623) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID126442623
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESCc1cc(C)nc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)n1
InChIInChI=1S/C21H28N4O2/c1-15-13-16(2)24-20(23-15)17-6-8-18(9-7-17)21(27)22-10-12-25-11-4-3-5-19(25)14-26/h6-9,13,19,26H,3-5,10-12,14H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyLMPZGEIZFRQXDB-LJQANCHMSA-N
XLogP2.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 119074698
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126450240
4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 126437733
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121497077
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (CID 126442623) is 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is Cc1cc(C)nc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is LMPZGEIZFRQXDB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-13-16(2)24-20(23-15)17-6-8-18(9-7-17)21(27)22-10-12-25-11-4-3-5-19(25)14-26/h6-9,13,19,26H,3-5,10-12,14H2,1-2H3,(H,22,27)/t19-/m1/s1.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 126442623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).