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

C16H24N4O — CID 53191678

IUPAC1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
SMILESCc1nn(C)c(C)c1CCN(C)Cc1ccc(=O)n(C)c1
InChIInChI=1S/C16H24N4O/c1-12-15(13(2)20(5)17-12)8-9-18(3)10-14-6-7-16(21)19(4)11-14/h6-7,11H,8-10H2,1-5H3
InChIKeyIULSIAJPMAIUQO-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.41
Rot. Bonds5

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

1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one (PubChem CID 53191678) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
PubChem CID53191678
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
SMILESCc1nn(C)c(C)c1CCN(C)Cc1ccc(=O)n(C)c1
InChIInChI=1S/C16H24N4O/c1-12-15(13(2)20(5)17-12)8-9-18(3)10-14-6-7-16(21)19(4)11-14/h6-7,11H,8-10H2,1-5H3
InChIKeyIULSIAJPMAIUQO-UHFFFAOYSA-N
XLogP1.41
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one (CID 53191678) is 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one is Cc1nn(C)c(C)c1CCN(C)Cc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
The InChIKey is IULSIAJPMAIUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-15(13(2)20(5)17-12)8-9-18(3)10-14-6-7-16(21)19(4)11-14/h6-7,11H,8-10H2,1-5H3.
What are the key properties of 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one has a molecular weight of 288.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one is sourced from PubChem (CID 53191678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).