2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene

C34H47N3O2 — CID 143288378

About 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene

2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene (PubChem CID 143288378) has the molecular formula C34H47N3O2 and a molecular weight of 529.77 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene.

Molecular Properties

• Compound Name: 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene
• PubChem CID: 143288378
• Molecular Formula: C34H47N3O2
• Molecular Weight: 529.77 g/mol
• Exact Mass: 529.37
• IUPAC Name: 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene
• SMILES: CC.CC/C(C)=C\c1c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc(C)nc1C.Cc1ccccc1
• InChI: InChI=1S/C25H33N3O2.C7H8.C2H6/c1-5-18(2)16-23-20(4)26-19(3)17-24(23)25(29)27-22-8-6-21(7-9-22)10-11-28-12-14-30-15-13-28;1-7-5-3-2-4-6-7;1-2/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,29);2-6H,1H3;1-2H3/b18-16-
• InChIKey: CSJWCGXEVWIJRI-KZYDBBBVSA-N
• XLogP: 7.66
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.77
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene?

The IUPAC name of 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene (CID 143288378) is 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene.

What is the SMILES notation for 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene?

The canonical SMILES for 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene is CC.CC/C(C)=C\c1c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc(C)nc1C.Cc1ccccc1.

What is the InChIKey of 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene?

The InChIKey is CSJWCGXEVWIJRI-KZYDBBBVSA-N. The full InChI is InChI=1S/C25H33N3O2.C7H8.C2H6/c1-5-18(2)16-23-20(4)26-19(3)17-24(23)25(29)27-22-8-6-21(7-9-22)10-11-28-12-14-30-15-13-28;1-7-5-3-2-4-6-7;1-2/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,29);2-6H,1H3;1-2H3/b18-16-;;.

What are the key properties of 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene?

2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene has a molecular weight of 529.77 g/mol, XLogP of 7.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene is sourced from PubChem (CID 143288378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).