N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C37H41N5O3 — CID 54260279

About N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 54260279) has the molecular formula C37H41N5O3 and a molecular weight of 603.77 g/mol. Its IUPAC name is N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
• PubChem CID: 54260279
• Molecular Formula: C37H41N5O3
• Molecular Weight: 603.77 g/mol
• Exact Mass: 603.32
• IUPAC Name: N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
• SMILES: COc1ccc2[nH]cc(C3=CCN(CC(=O)N[C@H](Cc4c[nH]c5ccccc45)CN(Cc4ccccc4C)C(C)=O)CC3)c2c1
• InChI: InChI=1S/C37H41N5O3/c1-25-8-4-5-9-28(25)22-42(26(2)43)23-30(18-29-20-38-35-11-7-6-10-32(29)35)40-37(44)24-41-16-14-27(15-17-41)34-21-39-36-13-12-31(45-3)19-33(34)36/h4-14,19-21,30,38-39H,15-18,22-24H2,1-3H3,(H,40,44)/t30-/m1/s1
• InChIKey: RCZZAYLMEMEIIH-SSEXGKCCSA-N
• XLogP: 5.83
• TPSA: 93.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.77
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?

The IUPAC name of N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 54260279) is N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

What is the SMILES notation for N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?

The canonical SMILES for N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is COc1ccc2[nH]cc(C3=CCN(CC(=O)N[C@H](Cc4c[nH]c5ccccc45)CN(Cc4ccccc4C)C(C)=O)CC3)c2c1.

What is the InChIKey of N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?

The InChIKey is RCZZAYLMEMEIIH-SSEXGKCCSA-N. The full InChI is InChI=1S/C37H41N5O3/c1-25-8-4-5-9-28(25)22-42(26(2)43)23-30(18-29-20-38-35-11-7-6-10-32(29)35)40-37(44)24-41-16-14-27(15-17-41)34-21-39-36-13-12-31(45-3)19-33(34)36/h4-14,19-21,30,38-39H,15-18,22-24H2,1-3H3,(H,40,44)/t30-/m1/s1.

What are the key properties of N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?

N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 603.77 g/mol, XLogP of 5.83, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[acetyl-[(2-methylphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 54260279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).