(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

C18H20N4O3 — CID 138017545

IUPAC(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCOc1cncnc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H20N4O3/c1-11(2)15(17(23)21-16-14(25-3)8-19-10-20-16)22-9-12-6-4-5-7-13(12)18(22)24/h4-8,10-11,15H,9H2,1-3H3,(H,19,20,21,23)/t15-/m1/s1
InChIKeyMTTFUMDNMXSUDE-OAHLLOKOSA-N
MW340.38 g/mol
LogP2.10
Rot. Bonds5

About (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 138017545) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID138017545
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCOc1cncnc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H20N4O3/c1-11(2)15(17(23)21-16-14(25-3)8-19-10-20-16)22-9-12-6-4-5-7-13(12)18(22)24/h4-8,10-11,15H,9H2,1-3H3,(H,19,20,21,23)/t15-/m1/s1
InChIKeyMTTFUMDNMXSUDE-OAHLLOKOSA-N
XLogP2.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 138017545) is (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is COc1cncnc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is MTTFUMDNMXSUDE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)15(17(23)21-16-14(25-3)8-19-10-20-16)22-9-12-6-4-5-7-13(12)18(22)24/h4-8,10-11,15H,9H2,1-3H3,(H,19,20,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 340.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 138017545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).