N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide

C22H26ClN5O3 — CID 142690576

About N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide (PubChem CID 142690576) has the molecular formula C22H26ClN5O3 and a molecular weight of 443.94 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
• PubChem CID: 142690576
• Molecular Formula: C22H26ClN5O3
• Molecular Weight: 443.94 g/mol
• Exact Mass: 443.17
• IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
• SMILES: Cc1nc(CCn2ncc(C)c(CC(=O)NCc3cc(Cl)ccc3CN)c2=O)c(C)o1
• InChI: InChI=1S/C22H26ClN5O3/c1-13-11-26-28(7-6-20-14(2)31-15(3)27-20)22(30)19(13)9-21(29)25-12-17-8-18(23)5-4-16(17)10-24/h4-5,8,11H,6-7,9-10,12,24H2,1-3H3,(H,25,29)
• InChIKey: IURRTYWNOWZZMI-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 116.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.94
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide?

The IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide (CID 142690576) is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide.

What is the SMILES notation for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide?

The canonical SMILES for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide is Cc1nc(CCn2ncc(C)c(CC(=O)NCc3cc(Cl)ccc3CN)c2=O)c(C)o1.

What is the InChIKey of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide?

The InChIKey is IURRTYWNOWZZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3/c1-13-11-26-28(7-6-20-14(2)31-15(3)27-20)22(30)19(13)9-21(29)25-12-17-8-18(23)5-4-16(17)10-24/h4-5,8,11H,6-7,9-10,12,24H2,1-3H3,(H,25,29).

What are the key properties of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide?

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide has a molecular weight of 443.94 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 142690576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).