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

C29H20ClF4N5O6 — CID 177004597

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

1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 177004597) has the molecular formula C29H20ClF4N5O6 and a molecular weight of 645.95 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 177004597
• Molecular Formula: C29H20ClF4N5O6
• Molecular Weight: 645.95 g/mol
• Exact Mass: 645.10
• IUPAC Name: 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: COc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3cnc(Oc4ccnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(Cl)c1
• InChI: InChI=1S/C29H20ClF4N5O6/c1-42-15-4-6-20(17(30)11-15)39-23(29(32,33)34)7-5-16(28(39)41)25(40)37-14-10-18(31)26(36-13-14)45-21-8-9-35-19-12-22(43-2)27(44-3)38-24(19)21/h4-13H,1-3H3,(H,37,40)
• InChIKey: NAMPUANUECRJSH-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 126.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.95
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 177004597) is 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

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

The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3cnc(Oc4ccnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(Cl)c1.

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

The InChIKey is NAMPUANUECRJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF4N5O6/c1-42-15-4-6-20(17(30)11-15)39-23(29(32,33)34)7-5-16(28(39)41)25(40)37-14-10-18(31)26(36-13-14)45-21-8-9-35-19-12-22(43-2)27(44-3)38-24(19)21/h4-13H,1-3H3,(H,37,40).

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

1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 645.95 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177004597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).