6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H25N3O — CID 22510471

IUPAC6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C
InChIInChI=1S/C19H25N3O/c1-4-7-17-18-11-10-15(3)21(18)12-13-22(17)19(23)20-16-9-6-5-8-14(16)2/h5-6,8-11,17H,4,7,12-13H2,1-3H3,(H,20,23)
InChIKeyYVPJZGCUZDNRCE-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.49
Rot. Bonds3

About 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510471) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510471
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C
InChIInChI=1S/C19H25N3O/c1-4-7-17-18-11-10-15(3)21(18)12-13-22(17)19(23)20-16-9-6-5-8-14(16)2/h5-6,8-11,17H,4,7,12-13H2,1-3H3,(H,20,23)
InChIKeyYVPJZGCUZDNRCE-UHFFFAOYSA-N
XLogP4.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510471) is 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YVPJZGCUZDNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-7-17-18-11-10-15(3)21(18)12-13-22(17)19(23)20-16-9-6-5-8-14(16)2/h5-6,8-11,17H,4,7,12-13H2,1-3H3,(H,20,23).
What are the key properties of 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).