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

C17H26N4O — CID 53191755

IUPAC1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
SMILESCCn1cc(CN(C)CCc2c(C)nn(C)c2C)ccc1=O
InChIInChI=1S/C17H26N4O/c1-6-21-12-15(7-8-17(21)22)11-19(4)10-9-16-13(2)18-20(5)14(16)3/h7-8,12H,6,9-11H2,1-5H3
InChIKeyWTTDGTYOBPXQIB-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.89
Rot. Bonds6

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

1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one (PubChem CID 53191755) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
PubChem CID53191755
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
SMILESCCn1cc(CN(C)CCc2c(C)nn(C)c2C)ccc1=O
InChIInChI=1S/C17H26N4O/c1-6-21-12-15(7-8-17(21)22)11-19(4)10-9-16-13(2)18-20(5)14(16)3/h7-8,12H,6,9-11H2,1-5H3
InChIKeyWTTDGTYOBPXQIB-UHFFFAOYSA-N
XLogP1.89
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one (CID 53191755) is 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one is CCn1cc(CN(C)CCc2c(C)nn(C)c2C)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
The InChIKey is WTTDGTYOBPXQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-6-21-12-15(7-8-17(21)22)11-19(4)10-9-16-13(2)18-20(5)14(16)3/h7-8,12H,6,9-11H2,1-5H3.
What are the key properties of 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one?
1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one is sourced from PubChem (CID 53191755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).