2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C23H21ClF3N3O4 — CID 24882415

IUPAC2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)cc(OC)c1OC
InChIInChI=1S/C23H21ClF3N3O4/c1-12-5-6-13(24)9-16(12)29-21-15(7-8-19(30-21)23(25,26)27)22(31)28-14-10-17(32-2)20(34-4)18(11-14)33-3/h5-11H,1-4H3,(H,28,31)(H,29,30)
InChIKeyPATVTQBKZZSIBN-UHFFFAOYSA-N
MW495.89 g/mol
LogP6.08
Rot. Bonds7

About 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 24882415) has the molecular formula C23H21ClF3N3O4 and a molecular weight of 495.89 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID24882415
Molecular FormulaC23H21ClF3N3O4
Molecular Weight495.89 g/mol
Exact Mass495.12
IUPAC Name2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)cc(OC)c1OC
InChIInChI=1S/C23H21ClF3N3O4/c1-12-5-6-13(24)9-16(12)29-21-15(7-8-19(30-21)23(25,26)27)22(31)28-14-10-17(32-2)20(34-4)18(11-14)33-3/h5-11H,1-4H3,(H,28,31)(H,29,30)
InChIKeyPATVTQBKZZSIBN-UHFFFAOYSA-N
XLogP6.08
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.89
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 24882415) is 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)cc(OC)c1OC.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is PATVTQBKZZSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O4/c1-12-5-6-13(24)9-16(12)29-21-15(7-8-19(30-21)23(25,26)27)22(31)28-14-10-17(32-2)20(34-4)18(11-14)33-3/h5-11H,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 495.89 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24882415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).