N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine

C16H23N5 — CID 66457427

IUPACN-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C16H23N5/c1-3-7-18-11-15-12-19-13-16(20-15)21(2)10-6-14-4-8-17-9-5-14/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3
InChIKeyACCWPKUKUSRQGE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds8

About N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine

N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine (PubChem CID 66457427) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
PubChem CID66457427
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C16H23N5/c1-3-7-18-11-15-12-19-13-16(20-15)21(2)10-6-14-4-8-17-9-5-14/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3
InChIKeyACCWPKUKUSRQGE-UHFFFAOYSA-N
XLogP2.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine 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-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
The IUPAC name of N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine (CID 66457427) is N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
The canonical SMILES for N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine is CCCNCc1cncc(N(C)CCc2ccncc2)n1.
What is the InChIKey of N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
The InChIKey is ACCWPKUKUSRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-7-18-11-15-12-19-13-16(20-15)21(2)10-6-14-4-8-17-9-5-14/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine?
N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine is sourced from PubChem (CID 66457427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).