N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide

C18H17ClN4O2 — CID 109237830

About N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109237830) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
• PubChem CID: 109237830
• Molecular Formula: C18H17ClN4O2
• Molecular Weight: 356.81 g/mol
• Exact Mass: 356.10
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
• SMILES: Cc1cc(Nc2cncc(C(=O)NCCc3ccc(Cl)cc3)c2)no1
• InChI: InChI=1S/C18H17ClN4O2/c1-12-8-17(23-25-12)22-16-9-14(10-20-11-16)18(24)21-7-6-13-2-4-15(19)5-3-13/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23)
• InChIKey: ABQRKGKHRAFHKR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.81
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide (CID 109237830) is N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide is Cc1cc(Nc2cncc(C(=O)NCCc3ccc(Cl)cc3)c2)no1.

What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

The InChIKey is ABQRKGKHRAFHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-8-17(23-25-12)22-16-9-14(10-20-11-16)18(24)21-7-6-13-2-4-15(19)5-3-13/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23).

What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).