N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide

C18H20N6O4 — CID 97017746

IUPACN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
SMILESCC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cc(-c3ccncc3)nn2C)C1=O
InChIInChI=1S/C18H20N6O4/c1-10(2)24-15(25)9-13(18(24)28)20-16(26)17(27)21-14-8-12(22-23(14)3)11-4-6-19-7-5-11/h4-8,10,13H,9H2,1-3H3,(H,20,26)(H,21,27)/t13-/m0/s1
InChIKeyPYVPHMAPZAQLKO-ZDUSSCGKSA-N
MW384.40 g/mol
LogP0.07
Rot. Bonds4

About N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide

N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide (PubChem CID 97017746) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
PubChem CID97017746
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC NameN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
SMILESCC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cc(-c3ccncc3)nn2C)C1=O
InChIInChI=1S/C18H20N6O4/c1-10(2)24-15(25)9-13(18(24)28)20-16(26)17(27)21-14-8-12(22-23(14)3)11-4-6-19-7-5-11/h4-8,10,13H,9H2,1-3H3,(H,20,26)(H,21,27)/t13-/m0/s1
InChIKeyPYVPHMAPZAQLKO-ZDUSSCGKSA-N
XLogP0.07
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide 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 N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
The IUPAC name of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide (CID 97017746) is N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide.
What is the SMILES notation for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
The canonical SMILES for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide is CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cc(-c3ccncc3)nn2C)C1=O.
What is the InChIKey of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
The InChIKey is PYVPHMAPZAQLKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-10(2)24-15(25)9-13(18(24)28)20-16(26)17(27)21-14-8-12(22-23(14)3)11-4-6-19-7-5-11/h4-8,10,13H,9H2,1-3H3,(H,20,26)(H,21,27)/t13-/m0/s1.
What are the key properties of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide has a molecular weight of 384.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide is sourced from PubChem (CID 97017746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).