2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C23H27N5O2 — CID 137269939

IUPAC2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCc1cc(=O)[nH]c(-c2ccc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)nc2)n1
InChIInChI=1S/C23H27N5O2/c1-6-18-11-20(29)27-23(25-18)17-7-8-19(24-12-17)28(5)13-21(30)26-22-15(3)9-14(2)10-16(22)4/h7-12H,6,13H2,1-5H3,(H,26,30)(H,25,27,29)
InChIKeyFSSYLESITMUCAH-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.39
Rot. Bonds6

About 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 137269939) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID137269939
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCc1cc(=O)[nH]c(-c2ccc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)nc2)n1
InChIInChI=1S/C23H27N5O2/c1-6-18-11-20(29)27-23(25-18)17-7-8-19(24-12-17)28(5)13-21(30)26-22-15(3)9-14(2)10-16(22)4/h7-12H,6,13H2,1-5H3,(H,26,30)(H,25,27,29)
InChIKeyFSSYLESITMUCAH-UHFFFAOYSA-N
XLogP3.39
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 137269939) is 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is CCc1cc(=O)[nH]c(-c2ccc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)nc2)n1.
What is the InChIKey of 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is FSSYLESITMUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-6-18-11-20(29)27-23(25-18)17-7-8-19(24-12-17)28(5)13-21(30)26-22-15(3)9-14(2)10-16(22)4/h7-12H,6,13H2,1-5H3,(H,26,30)(H,25,27,29).
What are the key properties of 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 137269939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).