N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C26H26F3N3O2 — CID 155571895

IUPACN-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1CC(NC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2N1
InChIInChI=1S/C26H26F3N3O2/c1-3-7-17-13-22(19-12-15(2)10-11-21(19)30-17)31-24(33)20-14-18(16-8-5-4-6-9-16)23(26(27,28)29)32-25(20)34/h4-6,8-12,14,17,22,30H,3,7,13H2,1-2H3,(H,31,33)(H,32,34)
InChIKeySIPLARHRKHBWAV-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.82
Rot. Bonds5

About N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155571895) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155571895
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC NameN-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1CC(NC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2N1
InChIInChI=1S/C26H26F3N3O2/c1-3-7-17-13-22(19-12-15(2)10-11-21(19)30-17)31-24(33)20-14-18(16-8-5-4-6-9-16)23(26(27,28)29)32-25(20)34/h4-6,8-12,14,17,22,30H,3,7,13H2,1-2H3,(H,31,33)(H,32,34)
InChIKeySIPLARHRKHBWAV-UHFFFAOYSA-N
XLogP5.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155571895) is N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCC1CC(NC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2N1.
What is the InChIKey of N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SIPLARHRKHBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c1-3-7-17-13-22(19-12-15(2)10-11-21(19)30-17)31-24(33)20-14-18(16-8-5-4-6-9-16)23(26(27,28)29)32-25(20)34/h4-6,8-12,14,17,22,30H,3,7,13H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155571895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).