2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide

C21H28N4O4 — CID 90491865

IUPAC2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
SMILESCOc1cccc(C(=O)NCCOc2cc(N3CCCCC3)nc(C)n2)c1OC
InChIInChI=1S/C21H28N4O4/c1-15-23-18(25-11-5-4-6-12-25)14-19(24-15)29-13-10-22-21(26)16-8-7-9-17(27-2)20(16)28-3/h7-9,14H,4-6,10-13H2,1-3H3,(H,22,26)
InChIKeyBAMRNJWXSKRRAE-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.60
Rot. Bonds8

About 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide

2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide (PubChem CID 90491865) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
PubChem CID90491865
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
SMILESCOc1cccc(C(=O)NCCOc2cc(N3CCCCC3)nc(C)n2)c1OC
InChIInChI=1S/C21H28N4O4/c1-15-23-18(25-11-5-4-6-12-25)14-19(24-15)29-13-10-22-21(26)16-8-7-9-17(27-2)20(16)28-3/h7-9,14H,4-6,10-13H2,1-3H3,(H,22,26)
InChIKeyBAMRNJWXSKRRAE-UHFFFAOYSA-N
XLogP2.60
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
2,4-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491866
7-methoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-benzofuran-2-carboxamide
CID 90492054
4,5-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-2-nitrobenzamide
CID 90491868
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491961
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
5-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-phenylpyrazole-4-carboxamide
CID 90492072
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492143
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
2-ethoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]naphthalene-1-carboxamide
CID 90492128
4-acetamido-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492069

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide (CID 90491865) is 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide is COc1cccc(C(=O)NCCOc2cc(N3CCCCC3)nc(C)n2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
The InChIKey is BAMRNJWXSKRRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-15-23-18(25-11-5-4-6-12-25)14-19(24-15)29-13-10-22-21(26)16-8-7-9-17(27-2)20(16)28-3/h7-9,14H,4-6,10-13H2,1-3H3,(H,22,26).
What are the key properties of 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide is sourced from PubChem (CID 90491865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).