N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C24H21N3O3 — CID 31249090

IUPACN-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)/N=c1\ccccn1Cc1ccccc1)C2=O
InChIInChI=1S/C24H21N3O3/c1-17-10-11-19-20(15-17)24(30)27(23(19)29)14-12-22(28)25-21-9-5-6-13-26(21)16-18-7-3-2-4-8-18/h2-11,13,15H,12,14,16H2,1H3/b25-21+
InChIKeyHMRCVVVBKPVYBL-NJNXFGOHSA-N
MW399.45 g/mol
LogP2.96
Rot. Bonds5

About N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 31249090) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID31249090
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)/N=c1\ccccn1Cc1ccccc1)C2=O
InChIInChI=1S/C24H21N3O3/c1-17-10-11-19-20(15-17)24(30)27(23(19)29)14-12-22(28)25-21-9-5-6-13-26(21)16-18-7-3-2-4-8-18/h2-11,13,15H,12,14,16H2,1H3/b25-21+
InChIKeyHMRCVVVBKPVYBL-NJNXFGOHSA-N
XLogP2.96
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 31249090) is N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)/N=c1\ccccn1Cc1ccccc1)C2=O.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HMRCVVVBKPVYBL-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17-10-11-19-20(15-17)24(30)27(23(19)29)14-12-22(28)25-21-9-5-6-13-26(21)16-18-7-3-2-4-8-18/h2-11,13,15H,12,14,16H2,1H3/b25-21+.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 31249090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).