N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C17H22N6O2 — CID 53185690

IUPACN-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCCCOc1nccnc1N1CCC(N(C)C(=O)c2cnccn2)C1
InChIInChI=1S/C17H22N6O2/c1-3-10-25-16-15(20-7-8-21-16)23-9-4-13(12-23)22(2)17(24)14-11-18-5-6-19-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyBHSOQVYUFIVPIS-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.41
Rot. Bonds6

About N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide

N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 53185690) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID53185690
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCCCOc1nccnc1N1CCC(N(C)C(=O)c2cnccn2)C1
InChIInChI=1S/C17H22N6O2/c1-3-10-25-16-15(20-7-8-21-16)23-9-4-13(12-23)22(2)17(24)14-11-18-5-6-19-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyBHSOQVYUFIVPIS-UHFFFAOYSA-N
XLogP1.41
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-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-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 53185690) is N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide is CCCOc1nccnc1N1CCC(N(C)C(=O)c2cnccn2)C1.
What is the InChIKey of N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is BHSOQVYUFIVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-10-25-16-15(20-7-8-21-16)23-9-4-13(12-23)22(2)17(24)14-11-18-5-6-19-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53185690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).