2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C22H23F3N4O — CID 156830513

IUPAC2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC(C)C)ccc2nc1N
InChIInChI=1S/C22H23F3N4O/c1-13(2)11-29(12-18-6-5-17(10-27-18)22(23,24)25)21(30)15-4-7-19-16(9-15)8-14(3)20(26)28-19/h4-10,13H,11-12H2,1-3H3,(H2,26,28)
InChIKeyCSGBHAZUAYOHGC-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.84
Rot. Bonds5

About 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830513) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830513
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC(C)C)ccc2nc1N
InChIInChI=1S/C22H23F3N4O/c1-13(2)11-29(12-18-6-5-17(10-27-18)22(23,24)25)21(30)15-4-7-19-16(9-15)8-14(3)20(26)28-19/h4-10,13H,11-12H2,1-3H3,(H2,26,28)
InChIKeyCSGBHAZUAYOHGC-UHFFFAOYSA-N
XLogP4.84
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 51358113
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
Sgi-1027
CID 24858111
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
N-(6-{2-[2-(2-Amino-3-{3-[(3,3-Dimethylbutyl)amino]-3-Oxopropyl}quinolin-6-Yl)phenyl]ethyl}pyridin-3-Yl)-4-Fluorobenzamide
CID 118797905
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-methyl-1H-indol-2-yl)carbonyl)-
CID 453386
Indole naphthyridinone 21
CID 6539896
(2r)-3-[2-Amino-6-(3-Methylpyridin-2-Yl)quinolin-3-Yl]-N-(3,3-Dimethylbutyl)-2-Methylpropanamide
CID 53465991
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
9-(6-aminopyridin-3-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350805
8-amino-N-cyclopropyl-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
CID 71657853

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830513) is 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC(C)C)ccc2nc1N.
What is the InChIKey of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is CSGBHAZUAYOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-13(2)11-29(12-18-6-5-17(10-27-18)22(23,24)25)21(30)15-4-7-19-16(9-15)8-14(3)20(26)28-19/h4-10,13H,11-12H2,1-3H3,(H2,26,28).
What are the key properties of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).