3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide

C12H17N5O2 — CID 43044827

IUPAC3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C12H17N5O2/c13-11-10(14-5-6-15-11)12(19)16-4-2-8-17-7-1-3-9(17)18/h5-6H,1-4,7-8H2,(H2,13,15)(H,16,19)
InChIKeyVUDBYLVMIQCYFX-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.20
Rot. Bonds5

About 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide

3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 43044827) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID43044827
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C12H17N5O2/c13-11-10(14-5-6-15-11)12(19)16-4-2-8-17-7-1-3-9(17)18/h5-6H,1-4,7-8H2,(H2,13,15)(H,16,19)
InChIKeyVUDBYLVMIQCYFX-UHFFFAOYSA-N
XLogP-0.20
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide (CID 43044827) is 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is VUDBYLVMIQCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-11-10(14-5-6-15-11)12(19)16-4-2-8-17-7-1-3-9(17)18/h5-6H,1-4,7-8H2,(H2,13,15)(H,16,19).
What are the key properties of 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide?
3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 43044827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).