N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

C25H26N4O3 — CID 67362365

IUPACN-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N2Cc3ccccc3C2)c1=O
InChIInChI=1S/C25H26N4O3/c1-17(26-2)24(31)27-21-12-13-22(18-8-4-3-5-9-18)29(25(21)32)16-23(30)28-14-19-10-6-7-11-20(19)15-28/h3-13,17,26H,14-16H2,1-2H3,(H,27,31)
InChIKeyMKVKWNPWVAMZHR-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.60
Rot. Bonds6

About N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 67362365) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID67362365
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N2Cc3ccccc3C2)c1=O
InChIInChI=1S/C25H26N4O3/c1-17(26-2)24(31)27-21-12-13-22(18-8-4-3-5-9-18)29(25(21)32)16-23(30)28-14-19-10-6-7-11-20(19)15-28/h3-13,17,26H,14-16H2,1-2H3,(H,27,31)
InChIKeyMKVKWNPWVAMZHR-UHFFFAOYSA-N
XLogP2.60
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 67362365) is N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N2Cc3ccccc3C2)c1=O.
What is the InChIKey of N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is MKVKWNPWVAMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(26-2)24(31)27-21-12-13-22(18-8-4-3-5-9-18)29(25(21)32)16-23(30)28-14-19-10-6-7-11-20(19)15-28/h3-13,17,26H,14-16H2,1-2H3,(H,27,31).
What are the key properties of N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 430.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 67362365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).