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

C24H25F3N4O — CID 167031430

IUPAC6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCC(CNc3cc(C(F)(F)F)nc4ccccc34)CC2)n1
InChIInChI=1S/C24H25F3N4O/c1-15-5-4-8-20(29-15)23(32)30-17-11-9-16(10-12-17)14-28-21-13-22(24(25,26)27)31-19-7-3-2-6-18(19)21/h2-8,13,16-17H,9-12,14H2,1H3,(H,28,31)(H,30,32)
InChIKeyYRTDCZMCNPCFDW-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.36
Rot. Bonds5

About 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide

6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 167031430) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID167031430
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCC(CNc3cc(C(F)(F)F)nc4ccccc34)CC2)n1
InChIInChI=1S/C24H25F3N4O/c1-15-5-4-8-20(29-15)23(32)30-17-11-9-16(10-12-17)14-28-21-13-22(24(25,26)27)31-19-7-3-2-6-18(19)21/h2-8,13,16-17H,9-12,14H2,1H3,(H,28,31)(H,30,32)
InChIKeyYRTDCZMCNPCFDW-UHFFFAOYSA-N
XLogP5.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide with MolForge

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Related Compounds

2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
CID 163267336
5-(trifluoromethyl)-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]thiophene-2-carboxamide
CID 167031403
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-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
1,5-dimethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohex-3-en-1-yl]pyrazole-3-carboxamide
CID 163267392
2-phenyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]butanamide
CID 163266929
N-[4-[[2-(2-fluoropropan-2-yl)quinolin-4-yl]amino]cyclohexyl]-1-benzofuran-3-carboxamide
CID 167099214
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418
N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 167099235

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide (CID 167031430) is 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NC2CCC(CNc3cc(C(F)(F)F)nc4ccccc34)CC2)n1.
What is the InChIKey of 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is YRTDCZMCNPCFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15-5-4-8-20(29-15)23(32)30-17-11-9-16(10-12-17)14-28-21-13-22(24(25,26)27)31-19-7-3-2-6-18(19)21/h2-8,13,16-17H,9-12,14H2,1H3,(H,28,31)(H,30,32).
What are the key properties of 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide?
6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 167031430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).