N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide

C15H17N3O3 — CID 124615274

IUPACN-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1
InChIInChI=1S/C15H17N3O3/c1-2-9-5-6-16-11(7-9)15(21)18(10-3-4-10)12-8-13(19)17-14(12)20/h5-7,10,12H,2-4,8H2,1H3,(H,17,19,20)/t12-/m1/s1
InChIKeyRIYNUEGIHMLLQK-GFCCVEGCSA-N
MW287.32 g/mol
LogP0.66
Rot. Bonds4

About N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide

N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide (PubChem CID 124615274) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide
PubChem CID124615274
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1
InChIInChI=1S/C15H17N3O3/c1-2-9-5-6-16-11(7-9)15(21)18(10-3-4-10)12-8-13(19)17-14(12)20/h5-7,10,12H,2-4,8H2,1H3,(H,17,19,20)/t12-/m1/s1
InChIKeyRIYNUEGIHMLLQK-GFCCVEGCSA-N
XLogP0.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide (CID 124615274) is N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide is CCc1ccnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1.
What is the InChIKey of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide?
The InChIKey is RIYNUEGIHMLLQK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-9-5-6-16-11(7-9)15(21)18(10-3-4-10)12-8-13(19)17-14(12)20/h5-7,10,12H,2-4,8H2,1H3,(H,17,19,20)/t12-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide?
N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide is sourced from PubChem (CID 124615274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).