N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C15H16F3N3O — CID 71879799

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1nc(C)cc(C)c1CNc1ncccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O/c1-9-7-10(2)21-14(22-3)11(9)8-20-13-12(15(16,17)18)5-4-6-19-13/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyWXFNYEOYLVMTRC-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.73
Rot. Bonds4

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 71879799) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID71879799
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1nc(C)cc(C)c1CNc1ncccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O/c1-9-7-10(2)21-14(22-3)11(9)8-20-13-12(15(16,17)18)5-4-6-19-13/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyWXFNYEOYLVMTRC-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 71879799) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is COc1nc(C)cc(C)c1CNc1ncccc1C(F)(F)F.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WXFNYEOYLVMTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9-7-10(2)21-14(22-3)11(9)8-20-13-12(15(16,17)18)5-4-6-19-13/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 311.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71879799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).