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

C21H23N3O — CID 166180094

IUPAC1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2cccn2CCN1C(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-16-20-10-5-13-23(20)14-15-24(16)21(25)22-12-11-18-8-4-7-17-6-2-3-9-19(17)18/h2-10,13,16H,11-12,14-15H2,1H3,(H,22,25)
InChIKeyBLMXFZROXDDQJJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.97
Rot. Bonds3

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

1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 166180094) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID166180094
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2cccn2CCN1C(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-16-20-10-5-13-23(20)14-15-24(16)21(25)22-12-11-18-8-4-7-17-6-2-3-9-19(17)18/h2-10,13,16H,11-12,14-15H2,1H3,(H,22,25)
InChIKeyBLMXFZROXDDQJJ-UHFFFAOYSA-N
XLogP3.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 166180094) is 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC1c2cccn2CCN1C(=O)NCCc1cccc2ccccc12.
What is the InChIKey of 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BLMXFZROXDDQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-20-10-5-13-23(20)14-15-24(16)21(25)22-12-11-18-8-4-7-17-6-2-3-9-19(17)18/h2-10,13,16H,11-12,14-15H2,1H3,(H,22,25).
What are the key properties of 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 166180094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).