6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

C26H32N6O2 — CID 88991012

IUPAC6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILES[H]/N=C(\C)c1cc(-c2cncc(N(C)CC3CCOCC3)n2)cnc1NCc1ccc(OC)cc1
InChIInChI=1S/C26H32N6O2/c1-18(27)23-12-21(14-30-26(23)29-13-19-4-6-22(33-3)7-5-19)24-15-28-16-25(31-24)32(2)17-20-8-10-34-11-9-20/h4-7,12,14-16,20,27H,8-11,13,17H2,1-3H3,(H,29,30)/b27-18+
InChIKeyGUQMHFBHSVSKLH-OVVQPSECSA-N
MW460.58 g/mol
LogP4.41
Rot. Bonds9

About 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (PubChem CID 88991012) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
PubChem CID88991012
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILES[H]/N=C(\C)c1cc(-c2cncc(N(C)CC3CCOCC3)n2)cnc1NCc1ccc(OC)cc1
InChIInChI=1S/C26H32N6O2/c1-18(27)23-12-21(14-30-26(23)29-13-19-4-6-22(33-3)7-5-19)24-15-28-16-25(31-24)32(2)17-20-8-10-34-11-9-20/h4-7,12,14-16,20,27H,8-11,13,17H2,1-3H3,(H,29,30)/b27-18+
InChIKeyGUQMHFBHSVSKLH-OVVQPSECSA-N
XLogP4.41
TPSA96.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)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 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (CID 88991012) is 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is [H]/N=C(\C)c1cc(-c2cncc(N(C)CC3CCOCC3)n2)cnc1NCc1ccc(OC)cc1.
What is the InChIKey of 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is GUQMHFBHSVSKLH-OVVQPSECSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18(27)23-12-21(14-30-26(23)29-13-19-4-6-22(33-3)7-5-19)24-15-28-16-25(31-24)32(2)17-20-8-10-34-11-9-20/h4-7,12,14-16,20,27H,8-11,13,17H2,1-3H3,(H,29,30)/b27-18+.
What are the key properties of 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 460.58 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 88991012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).