N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C23H27F3N4O — CID 11294332

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11294332) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
• PubChem CID: 11294332
• Molecular Formula: C23H27F3N4O
• Molecular Weight: 432.49 g/mol
• Exact Mass: 432.21
• IUPAC Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
• SMILES: CCN(c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1)C(C)C
• InChI: InChI=1S/C23H27F3N4O/c1-4-30(16(2)3)19-9-7-18(8-10-19)28-22(31)17-11-14-29(15-12-17)21-20(23(24,25)26)6-5-13-27-21/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,28,31)
• InChIKey: IVDYWYMDUNMVPD-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.49
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11294332) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is CCN(c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1)C(C)C.

What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The InChIKey is IVDYWYMDUNMVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O/c1-4-30(16(2)3)19-9-7-18(8-10-19)28-22(31)17-11-14-29(15-12-17)21-20(23(24,25)26)6-5-13-27-21/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,28,31).

What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11294332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).