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

C27H25F3N4O — CID 156830654

IUPAC2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCC(C)CN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(-c3ccccc3)cc2c1
InChIInChI=1S/C27H25F3N4O/c1-17(2)15-34(16-22-10-9-21(14-32-22)27(28,29)30)26(35)19-8-11-24-20(12-19)13-23(25(31)33-24)18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H2,31,33)
InChIKeyFDUTUYGLQCTZRQ-UHFFFAOYSA-N
MW478.52 g/mol
LogP6.20
Rot. Bonds6

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

2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830654) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830654
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCC(C)CN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(-c3ccccc3)cc2c1
InChIInChI=1S/C27H25F3N4O/c1-17(2)15-34(16-22-10-9-21(14-32-22)27(28,29)30)26(35)19-8-11-24-20(12-19)13-23(25(31)33-24)18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H2,31,33)
InChIKeyFDUTUYGLQCTZRQ-UHFFFAOYSA-N
XLogP6.20
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide
CID 156830963
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825
4-amino-N-(3-hydroxy-2-methylpropyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383458
2-amino-N-but-3-ynyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830876
2-amino-3-methyl-N-[(3R)-3-pyrazol-1-ylbutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710055
4-amino-N-(2,2-dimethylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383203
(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382679
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-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
CID 156830444
4-amino-N-(2,2-difluoropropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383424
2-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830654) is 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is CC(C)CN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(-c3ccccc3)cc2c1.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is FDUTUYGLQCTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-17(2)15-34(16-22-10-9-21(14-32-22)27(28,29)30)26(35)19-8-11-24-20(12-19)13-23(25(31)33-24)18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H2,31,33).
What are the key properties of 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).