N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide

C24H21F4N5O — CID 168750179

IUPACN-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncccc2c1)(c1nc(F)c(C(F)(F)F)cc1N)C1CCCC1C#N
InChIInChI=1S/C24H21F4N5O/c1-23(16-6-2-4-15(16)12-29,20-18(30)11-17(21(25)32-20)24(26,27)28)33-22(34)14-7-8-19-13(10-14)5-3-9-31-19/h3,5,7-11,15-16H,2,4,6,30H2,1H3,(H,33,34)
InChIKeyXPWVMPWFPAASQJ-UHFFFAOYSA-N
MW471.46 g/mol
LogP4.95
Rot. Bonds4

About N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide

N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide (PubChem CID 168750179) has the molecular formula C24H21F4N5O and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide
PubChem CID168750179
Molecular FormulaC24H21F4N5O
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC NameN-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncccc2c1)(c1nc(F)c(C(F)(F)F)cc1N)C1CCCC1C#N
InChIInChI=1S/C24H21F4N5O/c1-23(16-6-2-4-15(16)12-29,20-18(30)11-17(21(25)32-20)24(26,27)28)33-22(34)14-7-8-19-13(10-14)5-3-9-31-19/h3,5,7-11,15-16H,2,4,6,30H2,1H3,(H,33,34)
InChIKeyXPWVMPWFPAASQJ-UHFFFAOYSA-N
XLogP4.95
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]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-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
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-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 86970978
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
ethane;quinoline-6-carboxylic acid
CID 91364452
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide (CID 168750179) is N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide is CC(NC(=O)c1ccc2ncccc2c1)(c1nc(F)c(C(F)(F)F)cc1N)C1CCCC1C#N.
What is the InChIKey of N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide?
The InChIKey is XPWVMPWFPAASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O/c1-23(16-6-2-4-15(16)12-29,20-18(30)11-17(21(25)32-20)24(26,27)28)33-22(34)14-7-8-19-13(10-14)5-3-9-31-19/h3,5,7-11,15-16H,2,4,6,30H2,1H3,(H,33,34).
What are the key properties of N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide?
N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-(2-cyanocyclopentyl)ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 168750179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).