2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide

C24H26F3N5O — CID 163267072

IUPAC2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccccc34)CC2)ccn1
InChIInChI=1S/C24H26F3N5O/c1-32(2)22-13-15(11-12-28-22)23(33)30-17-9-7-16(8-10-17)29-20-14-21(24(25,26)27)31-19-6-4-3-5-18(19)20/h3-6,11-14,16-17H,7-10H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyWNJPEQKDLBPUGT-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.87
Rot. Bonds5

About 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide

2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide (PubChem CID 163267072) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
PubChem CID163267072
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccccc34)CC2)ccn1
InChIInChI=1S/C24H26F3N5O/c1-32(2)22-13-15(11-12-28-22)23(33)30-17-9-7-16(8-10-17)29-20-14-21(24(25,26)27)31-19-6-4-3-5-18(19)20/h3-6,11-14,16-17H,7-10H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyWNJPEQKDLBPUGT-UHFFFAOYSA-N
XLogP4.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387
2-(dimethylamino)-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229648
2-phenyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]butanamide
CID 163266929
3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 167109293
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
3-methyl-4-oxo-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinazoline-7-carboxamide
CID 163229161
N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
CID 167099267

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide (CID 163267072) is 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide is CN(C)c1cc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccccc34)CC2)ccn1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The InChIKey is WNJPEQKDLBPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-32(2)22-13-15(11-12-28-22)23(33)30-17-9-7-16(8-10-17)29-20-14-21(24(25,26)27)31-19-6-4-3-5-18(19)20/h3-6,11-14,16-17H,7-10H2,1-2H3,(H,29,31)(H,30,33).
What are the key properties of 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 163267072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).