N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C21H13Cl2F3N2O3 — CID 155464256

About N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464256) has the molecular formula C21H13Cl2F3N2O3 and a molecular weight of 469.25 g/mol. Its IUPAC name is N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 155464256
• Molecular Formula: C21H13Cl2F3N2O3
• Molecular Weight: 469.25 g/mol
• Exact Mass: 468.03
• IUPAC Name: N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c(=O)[nH]c1C(F)(F)F
• InChI: InChI=1S/C21H13Cl2F3N2O3/c1-9-6-14(20(30)28-18(9)21(24,25)26)19(29)27-17-12-4-2-10(22)7-15(12)31-16-8-11(23)3-5-13(16)17/h2-8,17H,1H3,(H,27,29)(H,28,30)
• InChIKey: XORGGHLGUVVXHB-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 71.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.25
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464256) is N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c(=O)[nH]c1C(F)(F)F.

What is the InChIKey of N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is XORGGHLGUVVXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N2O3/c1-9-6-14(20(30)28-18(9)21(24,25)26)19(29)27-17-12-4-2-10(22)7-15(12)31-16-8-11(23)3-5-13(16)17/h2-8,17H,1H3,(H,27,29)(H,28,30).

What are the key properties of N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 469.25 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).