5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C24H20ClF4N3O3 — CID 68881463

IUPAC5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)cc(C(=O)NCc2ccc(F)cc2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20ClF4N3O3/c1-13-18(22(34)31(2)3)11-19(21(33)30-12-14-7-8-16(26)10-20(14)25)23(35)32(13)17-6-4-5-15(9-17)24(27,28)29/h4-11H,12H2,1-3H3,(H,30,33)
InChIKeyPLSAYLHZBGKXKD-UHFFFAOYSA-N
MW509.89 g/mol
LogP4.59
Rot. Bonds5

About 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 68881463) has the molecular formula C24H20ClF4N3O3 and a molecular weight of 509.89 g/mol. Its IUPAC name is 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID68881463
Molecular FormulaC24H20ClF4N3O3
Molecular Weight509.89 g/mol
Exact Mass509.11
IUPAC Name5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)cc(C(=O)NCc2ccc(F)cc2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20ClF4N3O3/c1-13-18(22(34)31(2)3)11-19(21(33)30-12-14-7-8-16(26)10-20(14)25)23(35)32(13)17-6-4-5-15(9-17)24(27,28)29/h4-11H,12H2,1-3H3,(H,30,33)
InChIKeyPLSAYLHZBGKXKD-UHFFFAOYSA-N
XLogP4.59
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 68881463) is 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is Cc1c(C(=O)N(C)C)cc(C(=O)NCc2ccc(F)cc2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is PLSAYLHZBGKXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF4N3O3/c1-13-18(22(34)31(2)3)11-19(21(33)30-12-14-7-8-16(26)10-20(14)25)23(35)32(13)17-6-4-5-15(9-17)24(27,28)29/h4-11H,12H2,1-3H3,(H,30,33).
What are the key properties of 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 509.89 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 68881463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).