N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H22F3N3O2 — CID 166626786

IUPACN-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2N1
InChIInChI=1S/C20H22F3N3O2/c1-3-4-12-10-16(13-6-5-11(2)9-15(13)24-12)25-18(27)14-7-8-17(20(21,22)23)26-19(14)28/h5-9,12,16,24H,3-4,10H2,1-2H3,(H,25,27)(H,26,28)/t12-,16+/m1/s1
InChIKeyDVMLMUPORYXBNP-WBMJQRKESA-N
MW393.41 g/mol
LogP4.16
Rot. Bonds4

About N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166626786) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166626786
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2N1
InChIInChI=1S/C20H22F3N3O2/c1-3-4-12-10-16(13-6-5-11(2)9-15(13)24-12)25-18(27)14-7-8-17(20(21,22)23)26-19(14)28/h5-9,12,16,24H,3-4,10H2,1-2H3,(H,25,27)(H,26,28)/t12-,16+/m1/s1
InChIKeyDVMLMUPORYXBNP-WBMJQRKESA-N
XLogP4.16
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166626786) is N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2N1.
What is the InChIKey of N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DVMLMUPORYXBNP-WBMJQRKESA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-4-12-10-16(13-6-5-11(2)9-15(13)24-12)25-18(27)14-7-8-17(20(21,22)23)26-19(14)28/h5-9,12,16,24H,3-4,10H2,1-2H3,(H,25,27)(H,26,28)/t12-,16+/m1/s1.
What are the key properties of N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166626786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).