N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide

C20H18Cl2N4O2 — CID 166039783

About N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide

N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide (PubChem CID 166039783) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide
• PubChem CID: 166039783
• Molecular Formula: C20H18Cl2N4O2
• Molecular Weight: 417.30 g/mol
• Exact Mass: 416.08
• IUPAC Name: N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)Nc2cncc(C(C)Oc3cc(Cl)cnc3N)c2)c1Cl
• InChI: InChI=1S/C20H18Cl2N4O2/c1-11-4-3-5-16(18(11)22)20(27)26-15-6-13(8-24-10-15)12(2)28-17-7-14(21)9-25-19(17)23/h3-10,12H,1-2H3,(H2,23,25)(H,26,27)
• InChIKey: BLYQMWVZASCSPU-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.30
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide?

The IUPAC name of N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide (CID 166039783) is N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide.

What is the SMILES notation for N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide?

The canonical SMILES for N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cncc(C(C)Oc3cc(Cl)cnc3N)c2)c1Cl.

What is the InChIKey of N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide?

The InChIKey is BLYQMWVZASCSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-11-4-3-5-16(18(11)22)20(27)26-15-6-13(8-24-10-15)12(2)28-17-7-14(21)9-25-19(17)23/h3-10,12H,1-2H3,(H2,23,25)(H,26,27).

What are the key properties of N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide?

N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide has a molecular weight of 417.30 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide is sourced from PubChem (CID 166039783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).