N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide

C23H20F3N5OS — CID 168750300

IUPACN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide
SMILESCc1ncsc1CC(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C23H20F3N5OS/c1-13-19(33-12-30-13)10-22(2,20-17(27)9-16(11-29-20)23(24,25)26)31-21(32)15-5-6-18-14(8-15)4-3-7-28-18/h3-9,11-12H,10,27H2,1-2H3,(H,31,32)
InChIKeySGBWCECPPZANKB-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.88
Rot. Bonds5

About N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide

N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide (PubChem CID 168750300) has the molecular formula C23H20F3N5OS and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide
PubChem CID168750300
Molecular FormulaC23H20F3N5OS
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC NameN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide
SMILESCc1ncsc1CC(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C23H20F3N5OS/c1-13-19(33-12-30-13)10-22(2,20-17(27)9-16(11-29-20)23(24,25)26)31-21(32)15-5-6-18-14(8-15)4-3-7-28-18/h3-9,11-12H,10,27H2,1-2H3,(H,31,32)
InChIKeySGBWCECPPZANKB-UHFFFAOYSA-N
XLogP4.88
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide
CID 168750199
N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide
CID 168750293
N-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide
CID 168750179
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
1-(3-methylquinolin-6-yl)ethanone;1-quinolin-6-ylethanone;3-(trifluoromethyl)quinoline-6-carboxylic acid;1-[3-(trifluoromethyl)quinolin-6-yl]ethanone;vanadium
CID 160963717
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
ethyl 2,2-difluoro-3-oxo-3-quinolin-6-ylpropanoate
CID 63095632

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide?
The IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide (CID 168750300) is N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide is Cc1ncsc1CC(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide?
The InChIKey is SGBWCECPPZANKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5OS/c1-13-19(33-12-30-13)10-22(2,20-17(27)9-16(11-29-20)23(24,25)26)31-21(32)15-5-6-18-14(8-15)4-3-7-28-18/h3-9,11-12H,10,27H2,1-2H3,(H,31,32).
What are the key properties of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide?
N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 168750300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).