3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine

C22H35N5 — CID 58804525

IUPAC3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CC
InChIInChI=1S/C22H35N5/c1-8-15(9-2)24-22-18(11-4)25-20(17(10-3)26-22)16-12-13-19(14(5)6)27-21(16)23-7/h12-15H,8-11H2,1-7H3,(H,23,27)(H,24,26)
InChIKeyXFVSZSZJORYCHI-UHFFFAOYSA-N
MW369.56 g/mol
LogP5.43
Rot. Bonds9

About 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine

3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804525) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804525
Molecular FormulaC22H35N5
Molecular Weight369.56 g/mol
Exact Mass369.29
IUPAC Name3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CC
InChIInChI=1S/C22H35N5/c1-8-15(9-2)24-22-18(11-4)25-20(17(10-3)26-22)16-12-13-19(14(5)6)27-21(16)23-7/h12-15H,8-11H2,1-7H3,(H,23,27)(H,24,26)
InChIKeyXFVSZSZJORYCHI-UHFFFAOYSA-N
XLogP5.43
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.56
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-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 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine (CID 58804525) is 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CC.
What is the InChIKey of 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is XFVSZSZJORYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-8-15(9-2)24-22-18(11-4)25-20(17(10-3)26-22)16-12-13-19(14(5)6)27-21(16)23-7/h12-15H,8-11H2,1-7H3,(H,23,27)(H,24,26).
What are the key properties of 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine?
3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 369.56 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).