3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one

C15H22N4O — CID 91829123

IUPAC3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(C)CCn2ccnc2C)c(C)c1=O
InChIInChI=1S/C15H22N4O/c1-11-9-17-14(12(2)15(11)20)10-18(4)7-8-19-6-5-16-13(19)3/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyYSKGEYAOOLEXNG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.63
Rot. Bonds5

About 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one (PubChem CID 91829123) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
PubChem CID91829123
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(C)CCn2ccnc2C)c(C)c1=O
InChIInChI=1S/C15H22N4O/c1-11-9-17-14(12(2)15(11)20)10-18(4)7-8-19-6-5-16-13(19)3/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyYSKGEYAOOLEXNG-UHFFFAOYSA-N
XLogP1.63
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 131900895
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CID 70753429
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3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one
CID 124906978
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CID 74238312
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
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N-methyl-2-(2-methylimidazol-1-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614105
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one (CID 91829123) is 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN(C)CCn2ccnc2C)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
The InChIKey is YSKGEYAOOLEXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-9-17-14(12(2)15(11)20)10-18(4)7-8-19-6-5-16-13(19)3/h5-6,9H,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one has a molecular weight of 274.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 91829123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).