N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C22H14ClF3N4O — CID 45485750

IUPACN-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31)
InChIKeyPPCHGKPZIRTPDN-UHFFFAOYSA-N
MW442.83 g/mol
LogP5.92
Rot. Bonds3

About N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485750) has the molecular formula C22H14ClF3N4O and a molecular weight of 442.83 g/mol. Its IUPAC name is N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485750
Molecular FormulaC22H14ClF3N4O
Molecular Weight442.83 g/mol
Exact Mass442.08
IUPAC NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31)
InChIKeyPPCHGKPZIRTPDN-UHFFFAOYSA-N
XLogP5.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 55.92
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-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485750) is N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1.
What is the InChIKey of N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PPCHGKPZIRTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31).
What are the key properties of N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 442.83 g/mol, XLogP of 5.92, 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-quinoxalin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).