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

C37H41N5O4 — CID 67701708

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

N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 67701708) has the molecular formula C37H41N5O4 and a molecular weight of 619.77 g/mol. Its IUPAC name is N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide
• PubChem CID: 67701708
• Molecular Formula: C37H41N5O4
• Molecular Weight: 619.77 g/mol
• Exact Mass: 619.32
• IUPAC Name: N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide
• SMILES: COc1ccc2[nH]cc(C3=CCN(N(C(C)=O)[C@H](Cc4c[nH]c5ccccc45)CN(Cc4ccccc4OC)C(C)=O)CC3)c2c1
• InChI: InChI=1S/C37H41N5O4/c1-25(43)40(23-28-9-5-8-12-37(28)46-4)24-30(19-29-21-38-35-11-7-6-10-32(29)35)42(26(2)44)41-17-15-27(16-18-41)34-22-39-36-14-13-31(45-3)20-33(34)36/h5-15,20-22,30,38-39H,16-19,23-24H2,1-4H3/t30-/m1/s1
• InChIKey: UZIMBIGBSLHJSF-SSEXGKCCSA-N
• XLogP: 6.18
• TPSA: 93.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.77
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 67701708) is N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide.

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

The canonical SMILES for N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccc2[nH]cc(C3=CCN(N(C(C)=O)[C@H](Cc4c[nH]c5ccccc45)CN(Cc4ccccc4OC)C(C)=O)CC3)c2c1.

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

The InChIKey is UZIMBIGBSLHJSF-SSEXGKCCSA-N. The full InChI is InChI=1S/C37H41N5O4/c1-25(43)40(23-28-9-5-8-12-37(28)46-4)24-30(19-29-21-38-35-11-7-6-10-32(29)35)42(26(2)44)41-17-15-27(16-18-41)34-22-39-36-14-13-31(45-3)20-33(34)36/h5-15,20-22,30,38-39H,16-19,23-24H2,1-4H3/t30-/m1/s1.

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

N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 619.77 g/mol, XLogP of 6.18, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[acetyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]amino]-3-(1H-indol-3-yl)propyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 67701708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).