2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide

C22H20N4O2 — CID 67096669

IUPAC2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNC1c2ccccc2C(=O)N1Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C22H20N4O2/c27-20(25-19-12-6-7-13-23-19)14-24-21-17-10-4-5-11-18(17)22(28)26(21)15-16-8-2-1-3-9-16/h1-13,21,24H,14-15H2,(H,23,25,27)
InChIKeyYIVJUBPXVUVRQT-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.96
Rot. Bonds6

About 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide

2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide (PubChem CID 67096669) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide
PubChem CID67096669
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNC1c2ccccc2C(=O)N1Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C22H20N4O2/c27-20(25-19-12-6-7-13-23-19)14-24-21-17-10-4-5-11-18(17)22(28)26(21)15-16-8-2-1-3-9-16/h1-13,21,24H,14-15H2,(H,23,25,27)
InChIKeyYIVJUBPXVUVRQT-UHFFFAOYSA-N
XLogP2.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
CID 46256528
N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide
CID 92714418
2-benzyl-3-(4-methylanilino)-3H-isoindol-1-one
CID 20866641
3-(4-acetylanilino)-2-benzyl-3H-isoindol-1-one
CID 20866635
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 45147088
ethyl 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]benzoate
CID 20866712
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
CID 92714356
2-benzyl-3-(2-ethylanilino)-3H-isoindol-1-one
CID 20866645
methyl 2-[(6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl)amino]benzoate
CID 46359773
(3S)-2-benzyl-3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3H-isoindol-1-one
CID 11893244
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51718468

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide (CID 67096669) is 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide is O=C(CNC1c2ccccc2C(=O)N1Cc1ccccc1)Nc1ccccn1.
What is the InChIKey of 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide?
The InChIKey is YIVJUBPXVUVRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-20(25-19-12-6-7-13-23-19)14-24-21-17-10-4-5-11-18(17)22(28)26(21)15-16-8-2-1-3-9-16/h1-13,21,24H,14-15H2,(H,23,25,27).
What are the key properties of 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide?
2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide has a molecular weight of 372.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 67096669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).