6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide

C26H28F3N3O2 — CID 142471210

IUPAC6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C26H28F3N3O2/c1-3-22(32-25(33)18-8-11-24(34-2)31-15-18)17-6-4-16(5-7-17)20-12-13-30-23-14-19(26(27,28)29)9-10-21(20)23/h8-17,22H,3-7H2,1-2H3,(H,32,33)/t16?,17?,22-/m1/s1
InChIKeySQKWSVKJBRDMIR-CNXQINBVSA-N
MW471.52 g/mol
LogP6.14
Rot. Bonds6

About 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide

6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide (PubChem CID 142471210) has the molecular formula C26H28F3N3O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide
PubChem CID142471210
Molecular FormulaC26H28F3N3O2
Molecular Weight471.52 g/mol
Exact Mass471.21
IUPAC Name6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C26H28F3N3O2/c1-3-22(32-25(33)18-8-11-24(34-2)31-15-18)17-6-4-16(5-7-17)20-12-13-30-23-14-19(26(27,28)29)9-10-21(20)23/h8-17,22H,3-7H2,1-2H3,(H,32,33)/t16?,17?,22-/m1/s1
InChIKeySQKWSVKJBRDMIR-CNXQINBVSA-N
XLogP6.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide with MolForge

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Related Compounds

HPGDS inhibitor 2
CID 129247606
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
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Quinoline derivative 3
CID 89554768
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
N-(4-methoxyphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 16432965
4-Methoxypyrido [4,3-alpha]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9842573
4-Methoxypyrido[4,3-alpha]phenazine-11-carboxylic acid (2-dimethylamino-1(R)-methylethyl)-amide
CID 10134929
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060384
2-(3-Fluoro-4-methoxy-phenyl)-8,9,10,11-tetrahydro-3,8,11-triaza-benzo[a]fluoren-7-one
CID 25066617
N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 45487797
N-{2-[(cyclobutylmethyl)carbamoyl]-6-methoxypyridin-3-yl}quinoline-4-carboxamide
CID 57780757
N-[(S)-(4-methoxyphenyl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144099

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide (CID 142471210) is 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide is CC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide?
The InChIKey is SQKWSVKJBRDMIR-CNXQINBVSA-N. The full InChI is InChI=1S/C26H28F3N3O2/c1-3-22(32-25(33)18-8-11-24(34-2)31-15-18)17-6-4-16(5-7-17)20-12-13-30-23-14-19(26(27,28)29)9-10-21(20)23/h8-17,22H,3-7H2,1-2H3,(H,32,33)/t16?,17?,22-/m1/s1.
What are the key properties of 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide?
6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 142471210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).