2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide

C20H19N3O3 — CID 890139

IUPAC2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
InChIKeyOOTAAKCXVVNNBK-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.26
Rot. Bonds3

About 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide

2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide (PubChem CID 890139) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide
PubChem CID890139
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
InChIKeyOOTAAKCXVVNNBK-UHFFFAOYSA-N
XLogP3.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.26
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-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide (CID 890139) is 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide is O=C(Nc1ccncc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide?
The InChIKey is OOTAAKCXVVNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24).
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide?
2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide is sourced from PubChem (CID 890139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).