N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide

C23H26ClN5O3 — CID 71025336

About N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide (PubChem CID 71025336) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
• PubChem CID: 71025336
• Molecular Formula: C23H26ClN5O3
• Molecular Weight: 455.95 g/mol
• Exact Mass: 455.17
• IUPAC Name: N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
• SMILES: Cc1cnc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)nc3)ccc2Cl)n1C
• InChI: InChI=1S/C23H26ClN5O3/c1-16-14-26-22(28(16)2)19-13-18(4-5-20(19)24)27-23(30)17-3-6-21(25-15-17)32-12-9-29-7-10-31-11-8-29/h3-6,13-15H,7-12H2,1-2H3,(H,27,30)
• InChIKey: ZROZSRJYFDYRQY-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.95
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?

The IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide (CID 71025336) is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide is Cc1cnc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)nc3)ccc2Cl)n1C.

What is the InChIKey of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?

The InChIKey is ZROZSRJYFDYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-16-14-26-22(28(16)2)19-13-18(4-5-20(19)24)27-23(30)17-3-6-21(25-15-17)32-12-9-29-7-10-31-11-8-29/h3-6,13-15H,7-12H2,1-2H3,(H,27,30).

What are the key properties of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71025336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).