3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide

C22H24N8O2 — CID 167178690

About 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide

3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 167178690) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
• PubChem CID: 167178690
• Molecular Formula: C22H24N8O2
• Molecular Weight: 432.49 g/mol
• Exact Mass: 432.20
• IUPAC Name: 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
• SMILES: NCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CC(C(N)=O)C3)n2)cc1
• InChI: InChI=1S/C22H24N8O2/c23-7-5-13-1-3-14(4-2-13)16-10-27-20(24)19(28-16)22(32)29-17-9-26-8-6-18(17)30-11-15(12-30)21(25)31/h1-4,6,8-10,15H,5,7,11-12,23H2,(H2,24,27)(H2,25,31)(H,29,32)
• InChIKey: OCHQSGWIDHNLNE-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 166.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.49
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide (CID 167178690) is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide is NCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CC(C(N)=O)C3)n2)cc1.

What is the InChIKey of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?

The InChIKey is OCHQSGWIDHNLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c23-7-5-13-1-3-14(4-2-13)16-10-27-20(24)19(28-16)22(32)29-17-9-26-8-6-18(17)30-11-15(12-30)21(25)31/h1-4,6,8-10,15H,5,7,11-12,23H2,(H2,24,27)(H2,25,31)(H,29,32).

What are the key properties of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?

3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167178690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).