[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

C17H15Cl2N3O5 — CID 8678578

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 8678578) has the molecular formula C17H15Cl2N3O5 and a molecular weight of 412.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

• Compound Name: [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
• PubChem CID: 8678578
• Molecular Formula: C17H15Cl2N3O5
• Molecular Weight: 412.23 g/mol
• Exact Mass: 411.04
• IUPAC Name: [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
• SMILES: Cc1nc(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)c(Cl)cc1Cl
• InChI: InChI=1S/C17H15Cl2N3O5/c1-9-12(18)6-13(19)16(21-9)22-15(24)8-27-17(25)10-2-4-11(5-3-10)26-7-14(20)23/h2-6H,7-8H2,1H3,(H2,20,23)(H,21,22,24)
• InChIKey: LDZJPKSRPMQWIO-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 120.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.23
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?

The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (CID 8678578) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.

What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?

The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is Cc1nc(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)c(Cl)cc1Cl.

What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?

The InChIKey is LDZJPKSRPMQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O5/c1-9-12(18)6-13(19)16(21-9)22-15(24)8-27-17(25)10-2-4-11(5-3-10)26-7-14(20)23/h2-6H,7-8H2,1H3,(H2,20,23)(H,21,22,24).

What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 412.23 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 8678578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).