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

C21H18F3N3O2 — CID 58487003

IUPACN-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O2/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24/h3-11H,1-2H3,(H3,25,26,27,28)
InChIKeyCTBXUWIGMBMZFL-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.92
Rot. Bonds4

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

N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 58487003) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
PubChem CID58487003
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O2/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24/h3-11H,1-2H3,(H3,25,26,27,28)
InChIKeyCTBXUWIGMBMZFL-UHFFFAOYSA-N
XLogP4.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
CID 58486948
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155167
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
CID 122181200

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide (CID 58487003) is N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide is COc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1.
What is the InChIKey of N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is CTBXUWIGMBMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24/h3-11H,1-2H3,(H3,25,26,27,28).
What are the key properties of N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 401.39 g/mol, XLogP of 4.92, 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-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58487003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).