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

C22H18FN3O2 — CID 7693237

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccncc1)C2
InChIInChI=1S/C22H18FN3O2/c23-18-6-4-15(5-7-18)12-25-21(27)19-3-1-2-17-14-26(22(28)20(17)19)13-16-8-10-24-11-9-16/h1-11H,12-14H2,(H,25,27)
InChIKeyJOGZKGKRXFKTKN-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.31
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 7693237) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID7693237
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccncc1)C2
InChIInChI=1S/C22H18FN3O2/c23-18-6-4-15(5-7-18)12-25-21(27)19-3-1-2-17-14-26(22(28)20(17)19)13-16-8-10-24-11-9-16/h1-11H,12-14H2,(H,25,27)
InChIKeyJOGZKGKRXFKTKN-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxylate
CID 6966410
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
7-(4-phenylpiperazine-1-carbonyl)-2-(pyridin-4-ylmethyl)-3H-isoindol-1-one
CID 7709395
3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxylate
CID 7061762
7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(pyridin-3-ylmethyl)-3H-isoindol-1-one
CID 20855901
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 67521454
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 3239696
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46968435
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide (CID 7693237) is N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccncc1)C2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is JOGZKGKRXFKTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-18-6-4-15(5-7-18)12-25-21(27)19-3-1-2-17-14-26(22(28)20(17)19)13-16-8-10-24-11-9-16/h1-11H,12-14H2,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 7693237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).