N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C26H28F4N6O2 — CID 137376924

About N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 137376924) has the molecular formula C26H28F4N6O2 and a molecular weight of 532.54 g/mol. Its IUPAC name is N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 137376924
• Molecular Formula: C26H28F4N6O2
• Molecular Weight: 532.54 g/mol
• Exact Mass: 532.22
• IUPAC Name: N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2cc(F)c(-c3ccc(N(C)C)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
• InChI: InChI=1S/C26H28F4N6O2/c1-15-14-36(8-7-35(15)4)22-11-20(27)17(16-5-6-23(31-12-16)34(2)3)9-21(22)33-25(38)18-13-32-24(37)10-19(18)26(28,29)30/h5-6,9-13,15H,7-8,14H2,1-4H3,(H,32,37)(H,33,38)/t15-/m1/s1
• InChIKey: IIEPJVUSOQMPQO-OAHLLOKOSA-N
• XLogP: 4.05
• TPSA: 84.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.54
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 137376924) is N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is C[C@@H]1CN(c2cc(F)c(-c3ccc(N(C)C)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C.

What is the InChIKey of N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is IIEPJVUSOQMPQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H28F4N6O2/c1-15-14-36(8-7-35(15)4)22-11-20(27)17(16-5-6-23(31-12-16)34(2)3)9-21(22)33-25(38)18-13-32-24(37)10-19(18)26(28,29)30/h5-6,9-13,15H,7-8,14H2,1-4H3,(H,32,37)(H,33,38)/t15-/m1/s1.

What are the key properties of N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 532.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-(dimethylamino)-3-pyridinyl]-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 137376924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).