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

C11H17N5O — CID 62672725

IUPAC1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nccnc1CN
InChIInChI=1S/C11H17N5O/c1-13-11(17)9-3-2-6-16(9)10-8(7-12)14-4-5-15-10/h4-5,9H,2-3,6-7,12H2,1H3,(H,13,17)
InChIKeyOJKKKYGUAMGKJW-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.35
Rot. Bonds3

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

1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 62672725) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID62672725
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nccnc1CN
InChIInChI=1S/C11H17N5O/c1-13-11(17)9-3-2-6-16(9)10-8(7-12)14-4-5-15-10/h4-5,9H,2-3,6-7,12H2,1H3,(H,13,17)
InChIKeyOJKKKYGUAMGKJW-UHFFFAOYSA-N
XLogP-0.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide (CID 62672725) is 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nccnc1CN.
What is the InChIKey of 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is OJKKKYGUAMGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-13-11(17)9-3-2-6-16(9)10-8(7-12)14-4-5-15-10/h4-5,9H,2-3,6-7,12H2,1H3,(H,13,17).
What are the key properties of 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide?
1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62672725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).