3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide

C18H19N5O3 — CID 50748679

IUPAC3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
SMILESCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)c1=O
InChIInChI=1S/C18H19N5O3/c1-3-23-12(2)7-8-13(18(23)25)17-21-16(26-22-17)10-9-15(24)20-14-6-4-5-11-19-14/h4-8,11H,3,9-10H2,1-2H3,(H,19,20,24)
InChIKeyZSINHEQSSJWJKL-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.19
Rot. Bonds6

About 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide

3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide (PubChem CID 50748679) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
PubChem CID50748679
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
SMILESCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)c1=O
InChIInChI=1S/C18H19N5O3/c1-3-23-12(2)7-8-13(18(23)25)17-21-16(26-22-17)10-9-15(24)20-14-6-4-5-11-19-14/h4-8,11H,3,9-10H2,1-2H3,(H,19,20,24)
InChIKeyZSINHEQSSJWJKL-UHFFFAOYSA-N
XLogP2.19
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide with MolForge

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Related Compounds

3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 50748256
3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 50748643
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 17354513
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50748237
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94081161
3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 94081168
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94081163
3-[3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 53063485
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50748267

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide (CID 50748679) is 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide is CCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)c1=O.
What is the InChIKey of 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is ZSINHEQSSJWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-23-12(2)7-8-13(18(23)25)17-21-16(26-22-17)10-9-15(24)20-14-6-4-5-11-19-14/h4-8,11H,3,9-10H2,1-2H3,(H,19,20,24).
What are the key properties of 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 353.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 50748679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).