3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one

C21H21N3O2 — CID 158794087

IUPAC3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one
SMILESCCc1cc(-c2cncc(C(=O)CCc3cccnc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C21H21N3O2/c1-3-16-10-19(14(2)24-21(16)26)17-9-18(13-23-12-17)20(25)7-6-15-5-4-8-22-11-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,24,26)
InChIKeyISQMNCNRZRXUCY-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.52
Rot. Bonds6

About 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one

3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one (PubChem CID 158794087) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one
PubChem CID158794087
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one
SMILESCCc1cc(-c2cncc(C(=O)CCc3cccnc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C21H21N3O2/c1-3-16-10-19(14(2)24-21(16)26)17-9-18(13-23-12-17)20(25)7-6-15-5-4-8-22-11-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,24,26)
InChIKeyISQMNCNRZRXUCY-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-benzyl-N-ethyl-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 143120432
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide
CID 58808756
N-(2-amino-2-oxoethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808769
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(6-methyl-3-pyridinyl)propyl]pyridine-3-carboxamide
CID 58808589
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
CID 71082958
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808518
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one (CID 158794087) is 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one is CCc1cc(-c2cncc(C(=O)CCc3cccnc3)c2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one?
The InChIKey is ISQMNCNRZRXUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-16-10-19(14(2)24-21(16)26)17-9-18(13-23-12-17)20(25)7-6-15-5-4-8-22-11-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,24,26).
What are the key properties of 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one?
3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 158794087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).