5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide

C23H19ClN4O3S — CID 18440681

IUPAC5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(C1CCN(c3ccccn3)CC1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClN4O3S/c24-18-8-7-17(32-18)21(29)26-16-5-3-4-15-20(16)23(31)28(22(15)30)14-9-12-27(13-10-14)19-6-1-2-11-25-19/h1-8,11,14H,9-10,12-13H2,(H,26,29)
InChIKeyHRLVEQTUUCUYTB-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.31
Rot. Bonds4

About 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide

5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide (PubChem CID 18440681) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide
PubChem CID18440681
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(C1CCN(c3ccccn3)CC1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClN4O3S/c24-18-8-7-17(32-18)21(29)26-16-5-3-4-15-20(16)23(31)28(22(15)30)14-9-12-27(13-10-14)19-6-1-2-11-25-19/h1-8,11,14H,9-10,12-13H2,(H,26,29)
InChIKeyHRLVEQTUUCUYTB-UHFFFAOYSA-N
XLogP4.31
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide (CID 18440681) is 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide is O=C(Nc1cccc2c1C(=O)N(C1CCN(c3ccccn3)CC1)C2=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide?
The InChIKey is HRLVEQTUUCUYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-18-8-7-17(32-18)21(29)26-16-5-3-4-15-20(16)23(31)28(22(15)30)14-9-12-27(13-10-14)19-6-1-2-11-25-19/h1-8,11,14H,9-10,12-13H2,(H,26,29).
What are the key properties of 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1,3-dioxo-2-(1-pyridin-2-ylpiperidin-4-yl)isoindol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 18440681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).