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

C20H22F3N3O2 — CID 155465035

IUPACN-[(2R,4R)-6-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)c2cc(C)ccc2N1
InChIInChI=1S/C20H22F3N3O2/c1-3-4-12-10-16(14-9-11(2)5-7-15(14)24-12)25-18(27)13-6-8-17(20(21,22)23)26-19(13)28/h5-9,12,16,24H,3-4,10H2,1-2H3,(H,25,27)(H,26,28)/t12-,16-/m1/s1
InChIKeyJAMKRTCVAYXIHA-MLGOLLRUSA-N
MW393.41 g/mol
LogP4.16
Rot. Bonds4

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

N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155465035) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155465035
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[(2R,4R)-6-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)c2cc(C)ccc2N1
InChIInChI=1S/C20H22F3N3O2/c1-3-4-12-10-16(14-9-11(2)5-7-15(14)24-12)25-18(27)13-6-8-17(20(21,22)23)26-19(13)28/h5-9,12,16,24H,3-4,10H2,1-2H3,(H,25,27)(H,26,28)/t12-,16-/m1/s1
InChIKeyJAMKRTCVAYXIHA-MLGOLLRUSA-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

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

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Launch Full Analysis

Related Compounds

LG-121071
CID 9839132
Isonixin
CID 68767
6-Ethyl-7-(methylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22278998
7-(Propan-2-ylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279031
6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049
6-Ethyl-7-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279155
7-(Cyclohexylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279256
6-Methyl-7-(propylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279277
8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyrido[3,2-g]quinolin-2-one
CID 23648042
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155465035) is N-[(2R,4R)-6-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,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,4R)-6-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)c2cc(C)ccc2N1.
What is the InChIKey of N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JAMKRTCVAYXIHA-MLGOLLRUSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-4-12-10-16(14-9-11(2)5-7-15(14)24-12)25-18(27)13-6-8-17(20(21,22)23)26-19(13)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,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2R,4R)-6-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,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155465035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).