N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide

C20H16F3N3O2 — CID 58487028

IUPACN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(N)n2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-12-6-8-13(9-7-12)19(27)26-17-11-10-15(18(24)25-17)14-4-2-3-5-16(14)28-20(21,22)23/h2-11H,1H3,(H3,24,25,26,27)
InChIKeyWOQCBGXIPPLXKF-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.79
Rot. Bonds4

About N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide

N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 58487028) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
PubChem CID58487028
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(N)n2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-12-6-8-13(9-7-12)19(27)26-17-11-10-15(18(24)25-17)14-4-2-3-5-16(14)28-20(21,22)23/h2-11H,1H3,(H3,24,25,26,27)
InChIKeyWOQCBGXIPPLXKF-UHFFFAOYSA-N
XLogP4.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487003
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
CID 58486948
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155167
5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62204241
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 71111476

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide (CID 58487028) is N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is WOQCBGXIPPLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-6-8-13(9-7-12)19(27)26-17-11-10-15(18(24)25-17)14-4-2-3-5-16(14)28-20(21,22)23/h2-11H,1H3,(H3,24,25,26,27).
What are the key properties of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 387.36 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58487028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).