1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C12H19N5O — CID 62672350

IUPAC1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nccnc1CN
InChIInChI=1S/C12H19N5O/c1-16(2)12(18)10-4-3-7-17(10)11-9(8-13)14-5-6-15-11/h5-6,10H,3-4,7-8,13H2,1-2H3
InChIKeyZSXQQPODBUTQDR-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.01
Rot. Bonds3

About 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 62672350) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID62672350
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nccnc1CN
InChIInChI=1S/C12H19N5O/c1-16(2)12(18)10-4-3-7-17(10)11-9(8-13)14-5-6-15-11/h5-6,10H,3-4,7-8,13H2,1-2H3
InChIKeyZSXQQPODBUTQDR-UHFFFAOYSA-N
XLogP-0.01
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 62672350) is 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1nccnc1CN.
What is the InChIKey of 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ZSXQQPODBUTQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16(2)12(18)10-4-3-7-17(10)11-9(8-13)14-5-6-15-11/h5-6,10H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62672350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).