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

C23H24BrF3N4O — CID 156830981

IUPAC2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCCC(C(C)C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H24BrF3N4O/c1-4-20(13(2)3)31(12-17-7-6-16(11-29-17)23(25,26)27)22(32)14-5-8-19-15(9-14)10-18(24)21(28)30-19/h5-11,13,20H,4,12H2,1-3H3,(H2,28,30)
InChIKeyDGLYBXRMKWNQFB-UHFFFAOYSA-N
MW509.37 g/mol
LogP6.07
Rot. Bonds6

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

2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830981) has the molecular formula C23H24BrF3N4O and a molecular weight of 509.37 g/mol. Its IUPAC name is 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830981
Molecular FormulaC23H24BrF3N4O
Molecular Weight509.37 g/mol
Exact Mass508.11
IUPAC Name2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCCC(C(C)C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H24BrF3N4O/c1-4-20(13(2)3)31(12-17-7-6-16(11-29-17)23(25,26)27)22(32)14-5-8-19-15(9-14)10-18(24)21(28)30-19/h5-11,13,20H,4,12H2,1-3H3,(H2,28,30)
InChIKeyDGLYBXRMKWNQFB-UHFFFAOYSA-N
XLogP6.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.37
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166719436
2-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830926
2-amino-N-but-3-yn-2-yl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830381
2-amino-3-methyl-N-[(1R)-1-(oxan-4-yl)propyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830827
2-amino-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710064
7-amino-6-bromo-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 156830136
2-amino-3-bromo-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-methoxypropan-2-yl)quinoline-6-carboxamide
CID 166709930
2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830119
2-amino-3-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830599
2-amino-3-methyl-N-(3-pyrazol-1-ylbutan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830791
2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166709988
2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830654

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830981) is 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is CCC(C(C)C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(Br)cc2c1.
What is the InChIKey of 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is DGLYBXRMKWNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrF3N4O/c1-4-20(13(2)3)31(12-17-7-6-16(11-29-17)23(25,26)27)22(32)14-5-8-19-15(9-14)10-18(24)21(28)30-19/h5-11,13,20H,4,12H2,1-3H3,(H2,28,30).
What are the key properties of 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 509.37 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).