(2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide

C25H30N4O5 — CID 159796246

About (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide

(2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide (PubChem CID 159796246) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
• PubChem CID: 159796246
• Molecular Formula: C25H30N4O5
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.22
• IUPAC Name: (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
• SMILES: COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)NC(Cc3ccc[nH]c3=O)C(N)=O)cc12
• InChI: InChI=1S/C25H30N4O5/c1-14(2)10-16(12-21(30)19-13-17-18(28-19)7-4-8-22(17)34-3)25(33)29-20(23(26)31)11-15-6-5-9-27-24(15)32/h4-9,13-14,16,20,28H,10-12H2,1-3H3,(H2,26,31)(H,27,32)(H,29,33)/t16-,20?/m1/s1
• InChIKey: PJXFPPXYBJEYHQ-QRIPLOBPSA-N
• XLogP: 2.31
• TPSA: 147.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide?

The IUPAC name of (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide (CID 159796246) is (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide.

What is the SMILES notation for (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide?

The canonical SMILES for (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide is COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)NC(Cc3ccc[nH]c3=O)C(N)=O)cc12.

What is the InChIKey of (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide?

The InChIKey is PJXFPPXYBJEYHQ-QRIPLOBPSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-14(2)10-16(12-21(30)19-13-17-18(28-19)7-4-8-22(17)34-3)25(33)29-20(23(26)31)11-15-6-5-9-27-24(15)32/h4-9,13-14,16,20,28H,10-12H2,1-3H3,(H2,26,31)(H,27,32)(H,29,33)/t16-,20?/m1/s1.

What are the key properties of (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide?

(2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide has a molecular weight of 466.54 g/mol, XLogP of 2.31, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 159796246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).