N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C18H21N3O4 — CID 91919704

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2C)c1OC
InChIInChI=1S/C18H21N3O4/c1-20-14(11-21-9-5-7-13(21)18(20)23)17(22)19-10-12-6-4-8-15(24-2)16(12)25-3/h4-9,14H,10-11H2,1-3H3,(H,19,22)
InChIKeyVTNVVXYLAHRKCS-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.28
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91919704) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91919704
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2C)c1OC
InChIInChI=1S/C18H21N3O4/c1-20-14(11-21-9-5-7-13(21)18(20)23)17(22)19-10-12-6-4-8-15(24-2)16(12)25-3/h4-9,14H,10-11H2,1-3H3,(H,19,22)
InChIKeyVTNVVXYLAHRKCS-UHFFFAOYSA-N
XLogP1.28
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91919704) is N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is COc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is VTNVVXYLAHRKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-20-14(11-21-9-5-7-13(21)18(20)23)17(22)19-10-12-6-4-8-15(24-2)16(12)25-3/h4-9,14H,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91919704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).