N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide

C22H20F3N5O — CID 168750199

IUPACN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide
SMILESCC(CC#N)C(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C22H20F3N5O/c1-13(7-8-26)21(2,19-17(27)11-16(12-29-19)22(23,24)25)30-20(31)15-5-6-18-14(10-15)4-3-9-28-18/h3-6,9-13H,7,27H2,1-2H3,(H,30,31)
InChIKeyYPRWVFGPSJRMIC-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.43
Rot. Bonds5

About N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide

N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide (PubChem CID 168750199) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide
PubChem CID168750199
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC NameN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide
SMILESCC(CC#N)C(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C22H20F3N5O/c1-13(7-8-26)21(2,19-17(27)11-16(12-29-19)22(23,24)25)30-20(31)15-5-6-18-14(10-15)4-3-9-28-18/h3-6,9-13H,7,27H2,1-2H3,(H,30,31)
InChIKeyYPRWVFGPSJRMIC-UHFFFAOYSA-N
XLogP4.43
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide
CID 168750293
N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide
CID 168750300
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide
CID 168750179
N-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide?
The IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide (CID 168750199) is N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide is CC(CC#N)C(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide?
The InChIKey is YPRWVFGPSJRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c1-13(7-8-26)21(2,19-17(27)11-16(12-29-19)22(23,24)25)30-20(31)15-5-6-18-14(10-15)4-3-9-28-18/h3-6,9-13H,7,27H2,1-2H3,(H,30,31).
What are the key properties of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide?
N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-3-methylbutan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 168750199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).