3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid

C19H20N6O3 — CID 155689488

IUPAC3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid
SMILESCN(CCOc1cccc(-c2cnc(N)c(C(=O)O)n2)c1)c1ccncc1N
InChIInChI=1S/C19H20N6O3/c1-25(16-5-6-22-10-14(16)20)7-8-28-13-4-2-3-12(9-13)15-11-23-18(21)17(24-15)19(26)27/h2-6,9-11H,7-8,20H2,1H3,(H2,21,23)(H,26,27)
InChIKeyBWTROSISFVAXOR-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.92
Rot. Bonds7

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

3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid (PubChem CID 155689488) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid
PubChem CID155689488
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid
SMILESCN(CCOc1cccc(-c2cnc(N)c(C(=O)O)n2)c1)c1ccncc1N
InChIInChI=1S/C19H20N6O3/c1-25(16-5-6-22-10-14(16)20)7-8-28-13-4-2-3-12(9-13)15-11-23-18(21)17(24-15)19(26)27/h2-6,9-11H,7-8,20H2,1H3,(H2,21,23)(H,26,27)
InChIKeyBWTROSISFVAXOR-UHFFFAOYSA-N
XLogP1.92
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid (CID 155689488) is 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid is CN(CCOc1cccc(-c2cnc(N)c(C(=O)O)n2)c1)c1ccncc1N.
What is the InChIKey of 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid?
The InChIKey is BWTROSISFVAXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-25(16-5-6-22-10-14(16)20)7-8-28-13-4-2-3-12(9-13)15-11-23-18(21)17(24-15)19(26)27/h2-6,9-11H,7-8,20H2,1H3,(H2,21,23)(H,26,27).
What are the key properties of 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid?
3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid has a molecular weight of 380.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[2-[(3-amino-4-pyridinyl)-methylamino]ethoxy]phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 155689488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).