1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one

C25H31N3O3 — CID 137437954

IUPAC1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one
SMILESCC(Cc1ccc(=O)n(C(C)C)c1)c1cc(CC(C)c2cccn(C)c2=O)cc(=O)[nH]1
InChIInChI=1S/C25H31N3O3/c1-16(2)28-15-19(8-9-24(28)30)12-18(4)22-13-20(14-23(29)26-22)11-17(3)21-7-6-10-27(5)25(21)31/h6-10,13-18H,11-12H2,1-5H3,(H,26,29)
InChIKeyZMWJYTYSJSWGFI-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.51
Rot. Bonds7

About 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one

1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one (PubChem CID 137437954) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one
PubChem CID137437954
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one
SMILESCC(Cc1ccc(=O)n(C(C)C)c1)c1cc(CC(C)c2cccn(C)c2=O)cc(=O)[nH]1
InChIInChI=1S/C25H31N3O3/c1-16(2)28-15-19(8-9-24(28)30)12-18(4)22-13-20(14-23(29)26-22)11-17(3)21-7-6-10-27(5)25(21)31/h6-10,13-18H,11-12H2,1-5H3,(H,26,29)
InChIKeyZMWJYTYSJSWGFI-UHFFFAOYSA-N
XLogP3.51
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one with MolForge

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Related Compounds

2-cyclobutyl-N-(1,4-dimethyl-6-oxopyridin-3-yl)acetamide
CID 97222129
N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 75462417
1-methyl-N-(5-methylhexan-2-yl)-6-oxopyridine-3-carboxamide
CID 45825162
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 71921856
4-({4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl}carbonyl)-6-methylpyridin-2(1H)-one
CID 72840777
2-cyclopentyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 132344928
1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018733
2-amino-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018734
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018744
1-Methyl-6-[3-(1-methyl-2-oxo-3-pyridinyl)propyl]pyridin-2-one
CID 9992661
N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide
CID 47254963

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one (CID 137437954) is 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one is CC(Cc1ccc(=O)n(C(C)C)c1)c1cc(CC(C)c2cccn(C)c2=O)cc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one?
The InChIKey is ZMWJYTYSJSWGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-16(2)28-15-19(8-9-24(28)30)12-18(4)22-13-20(14-23(29)26-22)11-17(3)21-7-6-10-27(5)25(21)31/h6-10,13-18H,11-12H2,1-5H3,(H,26,29).
What are the key properties of 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one?
1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one has a molecular weight of 421.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one is sourced from PubChem (CID 137437954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).