N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide

C20H19ClN6OS — CID 23885624

About N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide

N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide (PubChem CID 23885624) has the molecular formula C20H19ClN6OS and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
• PubChem CID: 23885624
• Molecular Formula: C20H19ClN6OS
• Molecular Weight: 426.93 g/mol
• Exact Mass: 426.10
• IUPAC Name: N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
• SMILES: CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc(Cl)cn1
• InChI: InChI=1S/C20H19ClN6OS/c1-3-15(19(28)23-16-10-9-12(21)11-22-16)29-20-24-18-17(25-26-20)13-7-5-6-8-14(13)27(18)4-2/h5-11,15H,3-4H2,1-2H3,(H,22,23,28)
• InChIKey: FYMOBKJUHPKAKT-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.93
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide (CID 23885624) is N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide is CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc(Cl)cn1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?

The InChIKey is FYMOBKJUHPKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6OS/c1-3-15(19(28)23-16-10-9-12(21)11-22-16)29-20-24-18-17(25-26-20)13-7-5-6-8-14(13)27(18)4-2/h5-11,15H,3-4H2,1-2H3,(H,22,23,28).

What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?

N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide has a molecular weight of 426.93 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide is sourced from PubChem (CID 23885624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).