3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C30H28N6O4 — CID 71111745

About 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 71111745) has the molecular formula C30H28N6O4 and a molecular weight of 536.59 g/mol. Its IUPAC name is 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
• PubChem CID: 71111745
• Molecular Formula: C30H28N6O4
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.22
• IUPAC Name: 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
• SMILES: Nc1ncc(-c2cccc(C(=O)NC3CCc4ccccc43)c2)nc1C(=O)NC1CCN(C(=O)c2ccco2)C1
• InChI: InChI=1S/C30H28N6O4/c31-27-26(29(38)33-21-12-13-36(17-21)30(39)25-9-4-14-40-25)34-24(16-32-27)19-6-3-7-20(15-19)28(37)35-23-11-10-18-5-1-2-8-22(18)23/h1-9,14-16,21,23H,10-13,17H2,(H2,31,32)(H,33,38)(H,35,37)
• InChIKey: NJEKWFILQANOPA-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 143.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 71111745) is 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)NC3CCc4ccccc43)c2)nc1C(=O)NC1CCN(C(=O)c2ccco2)C1.

What is the InChIKey of 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?

The InChIKey is NJEKWFILQANOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O4/c31-27-26(29(38)33-21-12-13-36(17-21)30(39)25-9-4-14-40-25)34-24(16-32-27)19-6-3-7-20(15-19)28(37)35-23-11-10-18-5-1-2-8-22(18)23/h1-9,14-16,21,23H,10-13,17H2,(H2,31,32)(H,33,38)(H,35,37).

What are the key properties of 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?

3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71111745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).