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

C24H25F3N4O — CID 167099514

IUPAC2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N(C)c3cc(C(F)(F)F)nc4ccccc34)CC2)ccn1
InChIInChI=1S/C24H25F3N4O/c1-15-13-16(11-12-28-15)23(32)29-17-7-9-18(10-8-17)31(2)21-14-22(24(25,26)27)30-20-6-4-3-5-19(20)21/h3-6,11-14,17-18H,7-10H2,1-2H3,(H,29,32)
InChIKeyFGFVBEXWCHGNHU-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.13
Rot. Bonds4

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

2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide (PubChem CID 167099514) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
PubChem CID167099514
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N(C)c3cc(C(F)(F)F)nc4ccccc34)CC2)ccn1
InChIInChI=1S/C24H25F3N4O/c1-15-13-16(11-12-28-15)23(32)29-17-7-9-18(10-8-17)31(2)21-14-22(24(25,26)27)30-20-6-4-3-5-19(20)21/h3-6,11-14,17-18H,7-10H2,1-2H3,(H,29,32)
InChIKeyFGFVBEXWCHGNHU-UHFFFAOYSA-N
XLogP5.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
CID 167099267
3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099137
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
CID 167099516
3,5-dimethyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-oxazole-4-carboxamide
CID 167099511
2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 163267072
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 167099460
3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
CID 167099288
3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 167109293
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 167099450
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-sulfanylamino]cyclohexyl]-4-methylpyridine-3-carboxamide
CID 163267027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide (CID 167099514) is 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCC(N(C)c3cc(C(F)(F)F)nc4ccccc34)CC2)ccn1.
What is the InChIKey of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The InChIKey is FGFVBEXWCHGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15-13-16(11-12-28-15)23(32)29-17-7-9-18(10-8-17)31(2)21-14-22(24(25,26)27)30-20-6-4-3-5-19(20)21/h3-6,11-14,17-18H,7-10H2,1-2H3,(H,29,32).
What are the key properties of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide?
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 167099514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).