N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C24H18ClF3N4O — CID 59826552

IUPACN-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc2ncc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)nc2cc1C
InChIInChI=1S/C24H18ClF3N4O/c1-12-8-19-20(9-13(12)2)32-21(11-29-19)17-10-15(4-6-18(17)25)31-23(33)16-5-7-22(24(26,27)28)30-14(16)3/h4-11H,1-3H3,(H,31,33)
InChIKeyXOSXYVNATBUOGD-UHFFFAOYSA-N
MW470.88 g/mol
LogP6.54
Rot. Bonds3

About N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59826552) has the molecular formula C24H18ClF3N4O and a molecular weight of 470.88 g/mol. Its IUPAC name is N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59826552
Molecular FormulaC24H18ClF3N4O
Molecular Weight470.88 g/mol
Exact Mass470.11
IUPAC NameN-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc2ncc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)nc2cc1C
InChIInChI=1S/C24H18ClF3N4O/c1-12-8-19-20(9-13(12)2)32-21(11-29-19)17-10-15(4-6-18(17)25)31-23(33)16-5-7-22(24(26,27)28)30-14(16)3/h4-11H,1-3H3,(H,31,33)
InChIKeyXOSXYVNATBUOGD-UHFFFAOYSA-N
XLogP6.54
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.88
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59826552) is N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc2ncc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)nc2cc1C.
What is the InChIKey of N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XOSXYVNATBUOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O/c1-12-8-19-20(9-13(12)2)32-21(11-29-19)17-10-15(4-6-18(17)25)31-23(33)16-5-7-22(24(26,27)28)30-14(16)3/h4-11H,1-3H3,(H,31,33).
What are the key properties of N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 470.88 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6,7-dimethylquinoxalin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59826552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).