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

C16H17N3O2 — CID 91909099

IUPACN-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)13-10-19-7-3-6-14(19)16(21)18-13/h2-8,13H,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyBUBZJBJAERLNPB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.22
Rot. Bonds3

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

N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91909099) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91909099
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)13-10-19-7-3-6-14(19)16(21)18-13/h2-8,13H,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyBUBZJBJAERLNPB-UHFFFAOYSA-N
XLogP1.22
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91909099) is N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide is Cc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is BUBZJBJAERLNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)13-10-19-7-3-6-14(19)16(21)18-13/h2-8,13H,9-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91909099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).