N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide

C21H18N2O2 — CID 3072285

IUPACN,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1ccccc1C2
InChIInChI=1S/C21H18N2O2/c1-22(2)20(24)18-12-17(14-8-4-3-5-9-14)21(25)23-13-15-10-6-7-11-16(15)19(18)23/h3-12H,13H2,1-2H3
InChIKeyUVBZZOIHBROPPE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.25
Rot. Bonds2

About N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide

N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide (PubChem CID 3072285) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
PubChem CID3072285
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1ccccc1C2
InChIInChI=1S/C21H18N2O2/c1-22(2)20(24)18-12-17(14-8-4-3-5-9-14)21(25)23-13-15-10-6-7-11-16(15)19(18)23/h3-12H,13H2,1-2H3
InChIKeyUVBZZOIHBROPPE-UHFFFAOYSA-N
XLogP3.25
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide (CID 3072285) is N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide is CN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1ccccc1C2.
What is the InChIKey of N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
The InChIKey is UVBZZOIHBROPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-22(2)20(24)18-12-17(14-8-4-3-5-9-14)21(25)23-13-15-10-6-7-11-16(15)19(18)23/h3-12H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide is sourced from PubChem (CID 3072285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).