N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide

C21H16FN3O2 — CID 3242148

IUPACN-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccccn1)C2
InChIInChI=1S/C21H16FN3O2/c22-15-7-9-16(10-8-15)24-20(26)18-6-3-4-14-12-25(21(27)19(14)18)13-17-5-1-2-11-23-17/h1-11H,12-13H2,(H,24,26)
InChIKeyNOIYZPYVFCRNHE-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.63
Rot. Bonds4

About N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide

N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 3242148) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID3242148
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccccn1)C2
InChIInChI=1S/C21H16FN3O2/c22-15-7-9-16(10-8-15)24-20(26)18-6-3-4-14-12-25(21(27)19(14)18)13-17-5-1-2-11-23-17/h1-11H,12-13H2,(H,24,26)
InChIKeyNOIYZPYVFCRNHE-UHFFFAOYSA-N
XLogP3.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide (CID 3242148) is N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccccn1)C2.
What is the InChIKey of N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is NOIYZPYVFCRNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-15-7-9-16(10-8-15)24-20(26)18-6-3-4-14-12-25(21(27)19(14)18)13-17-5-1-2-11-23-17/h1-11H,12-13H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3242148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).