(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C18H16N6O3 — CID 92717081

IUPAC(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)n2nc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)nc2n1
InChIInChI=1S/C18H16N6O3/c1-9-8-10(2)24-18(19-9)21-17(22-24)20-14(25)11(3)23-15(26)12-6-4-5-7-13(12)16(23)27/h4-8,11H,1-3H3,(H,20,22,25)/t11-/m1/s1
InChIKeyOUBNHXGXFGKPEQ-LLVKDONJSA-N
MW364.37 g/mol
LogP1.36
Rot. Bonds3

About (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 92717081) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID92717081
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)n2nc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)nc2n1
InChIInChI=1S/C18H16N6O3/c1-9-8-10(2)24-18(19-9)21-17(22-24)20-14(25)11(3)23-15(26)12-6-4-5-7-13(12)16(23)27/h4-8,11H,1-3H3,(H,20,22,25)/t11-/m1/s1
InChIKeyOUBNHXGXFGKPEQ-LLVKDONJSA-N
XLogP1.36
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108763094
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]propanamide
CID 122286825
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764859
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide
CID 51975698
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 122296823
(2S)-N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 7423165
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55377190
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 92717081) is (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(C)n2nc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)nc2n1.
What is the InChIKey of (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is OUBNHXGXFGKPEQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-9-8-10(2)24-18(19-9)21-17(22-24)20-14(25)11(3)23-15(26)12-6-4-5-7-13(12)16(23)27/h4-8,11H,1-3H3,(H,20,22,25)/t11-/m1/s1.
What are the key properties of (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 364.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 92717081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).