(2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

C24H26N4O3 — CID 95059132

About (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

(2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide (PubChem CID 95059132) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
• PubChem CID: 95059132
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
• SMILES: CC[C@H](C(=O)NCCc1cccc(OC)c1)n1c2ccccc2c2cnn(C)c(=O)c21
• InChI: InChI=1S/C24H26N4O3/c1-4-20(23(29)25-13-12-16-8-7-9-17(14-16)31-3)28-21-11-6-5-10-18(21)19-15-26-27(2)24(30)22(19)28/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,25,29)/t20-/m1/s1
• InChIKey: LWNVXYZFTNQZCZ-HXUWFJFHSA-N
• XLogP: 3.21
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

The IUPAC name of (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide (CID 95059132) is (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide.

What is the SMILES notation for (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

The canonical SMILES for (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide is CC[C@H](C(=O)NCCc1cccc(OC)c1)n1c2ccccc2c2cnn(C)c(=O)c21.

What is the InChIKey of (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

The InChIKey is LWNVXYZFTNQZCZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-4-20(23(29)25-13-12-16-8-7-9-17(14-16)31-3)28-21-11-6-5-10-18(21)19-15-26-27(2)24(30)22(19)28/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,25,29)/t20-/m1/s1.

What are the key properties of (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

(2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide has a molecular weight of 418.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide is sourced from PubChem (CID 95059132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).