4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C25H26ClF3N4O2 — CID 145130747

About 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 145130747) has the molecular formula C25H26ClF3N4O2 and a molecular weight of 506.96 g/mol. Its IUPAC name is 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 145130747
• Molecular Formula: C25H26ClF3N4O2
• Molecular Weight: 506.96 g/mol
• Exact Mass: 506.17
• IUPAC Name: 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: CCC(C)=C(C)c1c(NCc2c(C)noc2C)ncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl
• InChI: InChI=1S/C25H26ClF3N4O2/c1-6-13(2)14(3)21-22(26)20(12-31-23(21)30-11-19-15(4)33-35-16(19)5)24(34)32-18-9-7-17(8-10-18)25(27,28)29/h7-10,12H,6,11H2,1-5H3,(H,30,31)(H,32,34)
• InChIKey: TYPCOXFLMVJSEL-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.96
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 145130747) is 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCC(C)=C(C)c1c(NCc2c(C)noc2C)ncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl.

What is the InChIKey of 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is TYPCOXFLMVJSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N4O2/c1-6-13(2)14(3)21-22(26)20(12-31-23(21)30-11-19-15(4)33-35-16(19)5)24(34)32-18-9-7-17(8-10-18)25(27,28)29/h7-10,12H,6,11H2,1-5H3,(H,30,31)(H,32,34).

What are the key properties of 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 506.96 g/mol, XLogP of 7.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-(3-methylpent-2-en-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 145130747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).