N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C17H21N3O3 — CID 20965014

IUPACN-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCn3cccc3C2C)c1
InChIInChI=1S/C17H21N3O3/c1-12-15-5-4-8-19(15)9-10-20(12)17(21)18-14-11-13(22-2)6-7-16(14)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)
InChIKeyXYITTZKMBAGFPN-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.11
Rot. Bonds3

About N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965014) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965014
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCn3cccc3C2C)c1
InChIInChI=1S/C17H21N3O3/c1-12-15-5-4-8-19(15)9-10-20(12)17(21)18-14-11-13(22-2)6-7-16(14)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)
InChIKeyXYITTZKMBAGFPN-UHFFFAOYSA-N
XLogP3.11
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965014) is N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1ccc(OC)c(NC(=O)N2CCn3cccc3C2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XYITTZKMBAGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-15-5-4-8-19(15)9-10-20(12)17(21)18-14-11-13(22-2)6-7-16(14)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).