N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide

C17H28N4O — CID 118784045

IUPACN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
SMILESCC(C)CN1CCC(CN(C)C(=O)CCc2cnccn2)C1
InChIInChI=1S/C17H28N4O/c1-14(2)11-21-9-6-15(13-21)12-20(3)17(22)5-4-16-10-18-7-8-19-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3
InChIKeyDAURMVIVQWKHQD-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.85
Rot. Bonds7

About N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide

N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide (PubChem CID 118784045) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
PubChem CID118784045
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
SMILESCC(C)CN1CCC(CN(C)C(=O)CCc2cnccn2)C1
InChIInChI=1S/C17H28N4O/c1-14(2)11-21-9-6-15(13-21)12-20(3)17(22)5-4-16-10-18-7-8-19-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3
InChIKeyDAURMVIVQWKHQD-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide 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-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide (CID 118784045) is N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide is CC(C)CN1CCC(CN(C)C(=O)CCc2cnccn2)C1.
What is the InChIKey of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is DAURMVIVQWKHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)11-21-9-6-15(13-21)12-20(3)17(22)5-4-16-10-18-7-8-19-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 304.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 118784045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).