methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate

C20H22N6O3 — CID 155689395

IUPACmethyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(OCCN(C)c3ccncc3N)c2)cnc1N
InChIInChI=1S/C20H22N6O3/c1-26(17-6-7-23-11-15(17)21)8-9-29-14-5-3-4-13(10-14)16-12-24-19(22)18(25-16)20(27)28-2/h3-7,10-12H,8-9,21H2,1-2H3,(H2,22,24)
InChIKeyIUIVZFUHNWNKFV-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.00
Rot. Bonds7

About methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate

methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate (PubChem CID 155689395) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate
PubChem CID155689395
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Namemethyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(OCCN(C)c3ccncc3N)c2)cnc1N
InChIInChI=1S/C20H22N6O3/c1-26(17-6-7-23-11-15(17)21)8-9-29-14-5-3-4-13(10-14)16-12-24-19(22)18(25-16)20(27)28-2/h3-7,10-12H,8-9,21H2,1-2H3,(H2,22,24)
InChIKeyIUIVZFUHNWNKFV-UHFFFAOYSA-N
XLogP2.00
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate 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 methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate (CID 155689395) is methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate is COC(=O)c1nc(-c2cccc(OCCN(C)c3ccncc3N)c2)cnc1N.
What is the InChIKey of methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate?
The InChIKey is IUIVZFUHNWNKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-26(17-6-7-23-11-15(17)21)8-9-29-14-5-3-4-13(10-14)16-12-24-19(22)18(25-16)20(27)28-2/h3-7,10-12H,8-9,21H2,1-2H3,(H2,22,24).
What are the key properties of methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate?
methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate has a molecular weight of 394.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 155689395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).