1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C30H21ClF4N4O6 — CID 177004449

About 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 177004449) has the molecular formula C30H21ClF4N4O6 and a molecular weight of 644.97 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 177004449
• Molecular Formula: C30H21ClF4N4O6
• Molecular Weight: 644.97 g/mol
• Exact Mass: 644.11
• IUPAC Name: 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: COc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3ccc(Oc4ccnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(Cl)c1
• InChI: InChI=1S/C30H21ClF4N4O6/c1-42-16-5-7-21(18(31)13-16)39-25(30(33,34)35)9-6-17(29(39)41)27(40)37-15-4-8-22(19(32)12-15)45-23-10-11-36-20-14-24(43-2)28(44-3)38-26(20)23/h4-14H,1-3H3,(H,37,40)
• InChIKey: LNXZVXILUVYJIY-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 113.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.97
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 177004449) is 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3ccc(Oc4ccnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(Cl)c1.

What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is LNXZVXILUVYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClF4N4O6/c1-42-16-5-7-21(18(31)13-16)39-25(30(33,34)35)9-6-17(29(39)41)27(40)37-15-4-8-22(19(32)12-15)45-23-10-11-36-20-14-24(43-2)28(44-3)38-26(20)23/h4-14H,1-3H3,(H,37,40).

What are the key properties of 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 644.97 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177004449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).