N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide

C23H30N4O3 — CID 7218732

About N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 7218732) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
• PubChem CID: 7218732
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
• SMILES: C[C@@H](CCc1ccccc1)NC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnccn1
• InChI: InChI=1S/C23H30N4O3/c1-18(9-10-19-6-3-2-4-7-19)26-22(28)11-14-27(17-20-8-5-15-30-20)23(29)21-16-24-12-13-25-21/h2-4,6-7,12-13,16,18,20H,5,8-11,14-15,17H2,1H3,(H,26,28)/t18-,20+/m0/s1
• InChIKey: RIEQTHSHKQARJL-AZUAARDMSA-N
• XLogP: 2.63
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?

The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide (CID 7218732) is N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnccn1.

What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?

The InChIKey is RIEQTHSHKQARJL-AZUAARDMSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-18(9-10-19-6-3-2-4-7-19)26-22(28)11-14-27(17-20-8-5-15-30-20)23(29)21-16-24-12-13-25-21/h2-4,6-7,12-13,16,18,20H,5,8-11,14-15,17H2,1H3,(H,26,28)/t18-,20+/m0/s1.

What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?

N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7218732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).