3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide

C29H23ClF2N6O3 — CID 123197933

About 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide

3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide (PubChem CID 123197933) has the molecular formula C29H23ClF2N6O3 and a molecular weight of 576.99 g/mol. Its IUPAC name is 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide
• PubChem CID: 123197933
• Molecular Formula: C29H23ClF2N6O3
• Molecular Weight: 576.99 g/mol
• Exact Mass: 576.15
• IUPAC Name: 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide
• SMILES: CN(C)Cc1cc2ccnc(Nc3ccc(Oc4ccnc(C(N)=O)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C29H23ClF2N6O3/c1-37(2)15-20-13-16-9-11-35-28(24(16)29(40)38(20)19-6-3-17(31)4-7-19)36-18-5-8-22(21(32)14-18)41-23-10-12-34-26(25(23)30)27(33)39/h3-14H,15H2,1-2H3,(H2,33,39)(H,35,36)
• InChIKey: AFWWKFAUTQUNFZ-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.99
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide (CID 123197933) is 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide is CN(C)Cc1cc2ccnc(Nc3ccc(Oc4ccnc(C(N)=O)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide?

The InChIKey is AFWWKFAUTQUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF2N6O3/c1-37(2)15-20-13-16-9-11-35-28(24(16)29(40)38(20)19-6-3-17(31)4-7-19)36-18-5-8-22(21(32)14-18)41-23-10-12-34-26(25(23)30)27(33)39/h3-14H,15H2,1-2H3,(H2,33,39)(H,35,36).

What are the key properties of 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide?

3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide has a molecular weight of 576.99 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 123197933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).