N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

C15H15Cl2N3O — CID 166305228

IUPACN-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1c(Cl)cccc1Cl)c1ccc2n1CCNC2
InChIInChI=1S/C15H15Cl2N3O/c16-12-2-1-3-13(17)11(12)9-19-15(21)14-5-4-10-8-18-6-7-20(10)14/h1-5,18H,6-9H2,(H,19,21)
InChIKeyHBPYRXXSHFKVBI-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.83
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 166305228) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID166305228
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1c(Cl)cccc1Cl)c1ccc2n1CCNC2
InChIInChI=1S/C15H15Cl2N3O/c16-12-2-1-3-13(17)11(12)9-19-15(21)14-5-4-10-8-18-6-7-20(10)14/h1-5,18H,6-9H2,(H,19,21)
InChIKeyHBPYRXXSHFKVBI-UHFFFAOYSA-N
XLogP2.83
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CID 166305228) is N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is O=C(NCc1c(Cl)cccc1Cl)c1ccc2n1CCNC2.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is HBPYRXXSHFKVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c16-12-2-1-3-13(17)11(12)9-19-15(21)14-5-4-10-8-18-6-7-20(10)14/h1-5,18H,6-9H2,(H,19,21).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 166305228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).