N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide

C16H10F3N3O — CID 47019901

IUPACN-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)13-7-5-11(9-20-13)15(23)22-14-8-6-10-3-1-2-4-12(10)21-14/h1-9H,(H,21,22,23)
InChIKeyBZAAVQQJXREUHG-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.90
Rot. Bonds2

About N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide

N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 47019901) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID47019901
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC NameN-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)13-7-5-11(9-20-13)15(23)22-14-8-6-10-3-1-2-4-12(10)21-14/h1-9H,(H,21,22,23)
InChIKeyBZAAVQQJXREUHG-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 47019901) is N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc2ccccc2n1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BZAAVQQJXREUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-16(18,19)13-7-5-11(9-20-13)15(23)22-14-8-6-10-3-1-2-4-12(10)21-14/h1-9H,(H,21,22,23).
What are the key properties of N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 47019901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).