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

C26H29F3N4O2 — CID 168750293

IUPACN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide
SMILESCCC(C1CCOCC1)C(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C26H29F3N4O2/c1-3-20(16-8-11-35-12-9-16)25(2,23-21(30)14-19(15-32-23)26(27,28)29)33-24(34)18-6-7-22-17(13-18)5-4-10-31-22/h4-7,10,13-16,20H,3,8-9,11-12,30H2,1-2H3,(H,33,34)
InChIKeyYKURGTJJFCGXKV-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.33
Rot. Bonds6

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

N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide (PubChem CID 168750293) has the molecular formula C26H29F3N4O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide
PubChem CID168750293
Molecular FormulaC26H29F3N4O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC NameN-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide
SMILESCCC(C1CCOCC1)C(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C26H29F3N4O2/c1-3-20(16-8-11-35-12-9-16)25(2,23-21(30)14-19(15-32-23)26(27,28)29)33-24(34)18-6-7-22-17(13-18)5-4-10-31-22/h4-7,10,13-16,20H,3,8-9,11-12,30H2,1-2H3,(H,33,34)
InChIKeyYKURGTJJFCGXKV-UHFFFAOYSA-N
XLogP5.33
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-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]-1-(4-methyl-1,3-thiazol-5-yl)propan-2-yl]quinoline-6-carboxamide
CID 168750300
N-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
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-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide?
The IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide (CID 168750293) is N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide is CCC(C1CCOCC1)C(C)(NC(=O)c1ccc2ncccc2c1)c1ncc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide?
The InChIKey is YKURGTJJFCGXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O2/c1-3-20(16-8-11-35-12-9-16)25(2,23-21(30)14-19(15-32-23)26(27,28)29)33-24(34)18-6-7-22-17(13-18)5-4-10-31-22/h4-7,10,13-16,20H,3,8-9,11-12,30H2,1-2H3,(H,33,34).
What are the key properties of N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide?
N-[2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 5.33, 6 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]-3-(oxan-4-yl)pentan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 168750293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).