2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

C18H15N3O3 — CID 71936857

IUPAC2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C18H15N3O3/c1-10-3-2-8-19-15(10)20-16(22)11-4-7-13-14(9-11)18(24)21(17(13)23)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,19,20,22)
InChIKeyOLJTXGZFIZMUPZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.40
Rot. Bonds3

About 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 71936857) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID71936857
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C18H15N3O3/c1-10-3-2-8-19-15(10)20-16(22)11-4-7-13-14(9-11)18(24)21(17(13)23)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,19,20,22)
InChIKeyOLJTXGZFIZMUPZ-UHFFFAOYSA-N
XLogP2.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (CID 71936857) is 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is Cc1cccnc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O.
What is the InChIKey of 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is OLJTXGZFIZMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-3-2-8-19-15(10)20-16(22)11-4-7-13-14(9-11)18(24)21(17(13)23)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,19,20,22).
What are the key properties of 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 71936857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).