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

C19H25N3O — CID 20965221

IUPAC6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C19H25N3O/c1-13(2)18-17-10-9-15(4)21(17)11-12-22(18)19(23)20-16-8-6-5-7-14(16)3/h5-10,13,18H,11-12H2,1-4H3,(H,20,23)
InChIKeyHBGDYNVUHGOTAB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.35
Rot. Bonds2

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

6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965221) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965221
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C19H25N3O/c1-13(2)18-17-10-9-15(4)21(17)11-12-22(18)19(23)20-16-8-6-5-7-14(16)3/h5-10,13,18H,11-12H2,1-4H3,(H,20,23)
InChIKeyHBGDYNVUHGOTAB-UHFFFAOYSA-N
XLogP4.35
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.35
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-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965221) is 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccccc1NC(=O)N1CCn2c(C)ccc2C1C(C)C.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HBGDYNVUHGOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)18-17-10-9-15(4)21(17)11-12-22(18)19(23)20-16-8-6-5-7-14(16)3/h5-10,13,18H,11-12H2,1-4H3,(H,20,23).
What are the key properties of 6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.35, 2 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-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).