3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide

C23H21N3O3 — CID 45106596

IUPAC3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2cccnc2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-29-19-10-8-16(9-11-19)21(13-22(27)25-18-6-4-12-24-14-18)26-15-17-5-2-3-7-20(17)23(26)28/h2-12,14,21H,13,15H2,1H3,(H,25,27)
InChIKeyFPUKMKVELWBZKP-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.82
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide

3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide (PubChem CID 45106596) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide
PubChem CID45106596
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2cccnc2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-29-19-10-8-16(9-11-19)21(13-22(27)25-18-6-4-12-24-14-18)26-15-17-5-2-3-7-20(17)23(26)28/h2-12,14,21H,13,15H2,1H3,(H,25,27)
InChIKeyFPUKMKVELWBZKP-UHFFFAOYSA-N
XLogP3.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide (CID 45106596) is 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide is COc1ccc(C(CC(=O)Nc2cccnc2)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is FPUKMKVELWBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-19-10-8-16(9-11-19)21(13-22(27)25-18-6-4-12-24-14-18)26-15-17-5-2-3-7-20(17)23(26)28/h2-12,14,21H,13,15H2,1H3,(H,25,27).
What are the key properties of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide?
3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 387.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 45106596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).