2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile

C19H14FN5O3 — CID 156867410

IUPAC2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc1N
InChIInChI=1S/C19H14FN5O3/c20-13-6-10(7-21)17(22)24-16(13)9-1-2-12-11(5-9)8-25(19(12)28)14-3-4-15(26)23-18(14)27/h1-2,5-6,14H,3-4,8H2,(H2,22,24)(H,23,26,27)
InChIKeyRTSXRSHBHKWRPL-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.10
Rot. Bonds2

About 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile

2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile (PubChem CID 156867410) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile
PubChem CID156867410
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc1N
InChIInChI=1S/C19H14FN5O3/c20-13-6-10(7-21)17(22)24-16(13)9-1-2-12-11(5-9)8-25(19(12)28)14-3-4-15(26)23-18(14)27/h1-2,5-6,14H,3-4,8H2,(H2,22,24)(H,23,26,27)
InChIKeyRTSXRSHBHKWRPL-UHFFFAOYSA-N
XLogP1.10
TPSA129.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile (CID 156867410) is 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile is N#Cc1cc(F)c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc1N.
What is the InChIKey of 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile?
The InChIKey is RTSXRSHBHKWRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-13-6-10(7-21)17(22)24-16(13)9-1-2-12-11(5-9)8-25(19(12)28)14-3-4-15(26)23-18(14)27/h1-2,5-6,14H,3-4,8H2,(H2,22,24)(H,23,26,27).
What are the key properties of 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile?
2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile has a molecular weight of 379.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 156867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).