1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone

C24H28N6O3 — CID 167547959

About 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone

1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone (PubChem CID 167547959) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone
• PubChem CID: 167547959
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone
• SMILES: NCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3CO)n2)cc1
• InChI: InChI=1S/C24H28N6O3/c25-7-5-16-1-3-17(4-2-16)20-13-28-24(26)23(29-20)22(32)11-18-12-27-8-6-21(18)30-9-10-33-15-19(30)14-31/h1-4,6,8,12-13,19,31H,5,7,9-11,14-15,25H2,(H2,26,28)
• InChIKey: CARDZOCLCHHKKQ-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 140.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone?

The IUPAC name of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone (CID 167547959) is 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone is NCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3CO)n2)cc1.

What is the InChIKey of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone?

The InChIKey is CARDZOCLCHHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c25-7-5-16-1-3-17(4-2-16)20-13-28-24(26)23(29-20)22(32)11-18-12-27-8-6-21(18)30-9-10-33-15-19(30)14-31/h1-4,6,8,12-13,19,31H,5,7,9-11,14-15,25H2,(H2,26,28).

What are the key properties of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone?

1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone has a molecular weight of 448.53 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 167547959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).