5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine

C23H26ClF3N4O2 — CID 163229806

IUPAC5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
SMILESC1CCCCC1.COc1cc(C(N)=O)c(Cl)cn1.Nc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C10H7F3N2.C7H7ClN2O2.C6H12/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;1-12-6-2-4(7(9)11)5(8)3-10-6;1-2-4-6-5-3-1/h1-5H,(H2,14,15);2-3H,1H3,(H2,9,11);1-6H2
InChIKeyLQLDPPMBBAKCGX-UHFFFAOYSA-N
MW482.93 g/mol
LogP6.02
Rot. Bonds2

About 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine

5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine (PubChem CID 163229806) has the molecular formula C23H26ClF3N4O2 and a molecular weight of 482.93 g/mol. Its IUPAC name is 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
PubChem CID163229806
Molecular FormulaC23H26ClF3N4O2
Molecular Weight482.93 g/mol
Exact Mass482.17
IUPAC Name5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
SMILESC1CCCCC1.COc1cc(C(N)=O)c(Cl)cn1.Nc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C10H7F3N2.C7H7ClN2O2.C6H12/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;1-12-6-2-4(7(9)11)5(8)3-10-6;1-2-4-6-5-3-1/h1-5H,(H2,14,15);2-3H,1H3,(H2,9,11);1-6H2
InChIKeyLQLDPPMBBAKCGX-UHFFFAOYSA-N
XLogP6.02
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.93
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163229093
2-benzyl-1,3-dihydroisoindole-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163228902
cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
CID 163228896
6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
CID 169217952
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
2-(1,1-difluoroethyl)quinolin-4-amine
CID 170616673
6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
2-methoxyquinolin-4-amine;hydrochloride
CID 126782028
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2351252
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide
CID 169218499
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine (CID 163229806) is 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine is C1CCCCC1.COc1cc(C(N)=O)c(Cl)cn1.Nc1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is LQLDPPMBBAKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2.C7H7ClN2O2.C6H12/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;1-12-6-2-4(7(9)11)5(8)3-10-6;1-2-4-6-5-3-1/h1-5H,(H2,14,15);2-3H,1H3,(H2,9,11);1-6H2.
What are the key properties of 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 482.93 g/mol, XLogP of 6.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 163229806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).