2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C16H16N6O4 — CID 99931132

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1cn(CC(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(=O)[nH]c1=O
InChIInChI=1S/C16H16N6O4/c1-9-7-22(16(25)20-14(9)24)8-12(23)18-10(2)15-19-13(21-26-15)11-3-5-17-6-4-11/h3-7,10H,8H2,1-2H3,(H,18,23)(H,20,24,25)/t10-/m1/s1
InChIKeyCYYHXPRMJTVPKB-SNVBAGLBSA-N
MW356.34 g/mol
LogP0.17
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 99931132) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID99931132
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1cn(CC(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(=O)[nH]c1=O
InChIInChI=1S/C16H16N6O4/c1-9-7-22(16(25)20-14(9)24)8-12(23)18-10(2)15-19-13(21-26-15)11-3-5-17-6-4-11/h3-7,10H,8H2,1-2H3,(H,18,23)(H,20,24,25)/t10-/m1/s1
InChIKeyCYYHXPRMJTVPKB-SNVBAGLBSA-N
XLogP0.17
TPSA135.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dioxoimidazolidin-1-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 77088867
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118777853
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91843379
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97126973
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83280029
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 99931132) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is Cc1cn(CC(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is CYYHXPRMJTVPKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N6O4/c1-9-7-22(16(25)20-14(9)24)8-12(23)18-10(2)15-19-13(21-26-15)11-3-5-17-6-4-11/h3-7,10H,8H2,1-2H3,(H,18,23)(H,20,24,25)/t10-/m1/s1.
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 356.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 99931132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).