N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide

C18H15Cl2N5O2S — CID 42348648

About N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 42348648) has the molecular formula C18H15Cl2N5O2S and a molecular weight of 436.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide
• PubChem CID: 42348648
• Molecular Formula: C18H15Cl2N5O2S
• Molecular Weight: 436.32 g/mol
• Exact Mass: 435.03
• IUPAC Name: N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide
• SMILES: O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cccc(C(=O)NC2CC2)c1
• InChI: InChI=1S/C18H15Cl2N5O2S/c19-11-7-14(20)16-23-24-18(25(16)8-11)28-9-15(26)21-13-3-1-2-10(6-13)17(27)22-12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,21,26)(H,22,27)
• InChIKey: WPKUEBCTCYJAEJ-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.32
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide?

The IUPAC name of N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide (CID 42348648) is N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide.

What is the SMILES notation for N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide?

The canonical SMILES for N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide is O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cccc(C(=O)NC2CC2)c1.

What is the InChIKey of N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide?

The InChIKey is WPKUEBCTCYJAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2S/c19-11-7-14(20)16-23-24-18(25(16)8-11)28-9-15(26)21-13-3-1-2-10(6-13)17(27)22-12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,21,26)(H,22,27).

What are the key properties of N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide?

N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 436.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 42348648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).