2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C20H27N5O — CID 92634141

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCc1cc(C)nc(N2CCC(CC(=O)N[C@H](C)c3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-14-12-15(2)23-20(22-14)25-10-7-17(8-11-25)13-19(26)24-16(3)18-6-4-5-9-21-18/h4-6,9,12,16-17H,7-8,10-11,13H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyGITJDXBYXFVDHM-MRXNPFEDSA-N
MW353.47 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 92634141) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID92634141
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCc1cc(C)nc(N2CCC(CC(=O)N[C@H](C)c3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-14-12-15(2)23-20(22-14)25-10-7-17(8-11-25)13-19(26)24-16(3)18-6-4-5-9-21-18/h4-6,9,12,16-17H,7-8,10-11,13H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyGITJDXBYXFVDHM-MRXNPFEDSA-N
XLogP2.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 92634141) is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide is Cc1cc(C)nc(N2CCC(CC(=O)N[C@H](C)c3ccccn3)CC2)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is GITJDXBYXFVDHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-12-15(2)23-20(22-14)25-10-7-17(8-11-25)13-19(26)24-16(3)18-6-4-5-9-21-18/h4-6,9,12,16-17H,7-8,10-11,13H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 92634141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).