4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide

C25H26N4O2 — CID 1196254

IUPAC4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)CN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H26N4O2/c1-17(2)16-29-23(21-7-3-4-8-22(21)25(29)31)28-20-11-9-19(10-12-20)24(30)27-15-18-6-5-13-26-14-18/h3-14,17,23,28H,15-16H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyNAVRHAKKLQZYQZ-QHCPKHFHSA-N
MW414.51 g/mol
LogP4.23
Rot. Bonds7

About 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide

4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1196254) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1196254
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)CN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H26N4O2/c1-17(2)16-29-23(21-7-3-4-8-22(21)25(29)31)28-20-11-9-19(10-12-20)24(30)27-15-18-6-5-13-26-14-18/h3-14,17,23,28H,15-16H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyNAVRHAKKLQZYQZ-QHCPKHFHSA-N
XLogP4.23
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 3996410
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
3-[[2-(4-ethoxyphenyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 42765917
3-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 3979089
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467
4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
CID 42663508
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 1196254) is 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide is CC(C)CN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NAVRHAKKLQZYQZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17(2)16-29-23(21-7-3-4-8-22(21)25(29)31)28-20-11-9-19(10-12-20)24(30)27-15-18-6-5-13-26-14-18/h3-14,17,23,28H,15-16H2,1-2H3,(H,27,30)/t23-/m0/s1.
What are the key properties of 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1196254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).