4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide

C23H17ClF2N4O5 — CID 168842891

About 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide

4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide (PubChem CID 168842891) has the molecular formula C23H17ClF2N4O5 and a molecular weight of 502.86 g/mol. Its IUPAC name is 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide
• PubChem CID: 168842891
• Molecular Formula: C23H17ClF2N4O5
• Molecular Weight: 502.86 g/mol
• Exact Mass: 502.09
• IUPAC Name: 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide
• SMILES: COc1nc2c(Oc3c(F)cc(NC(=O)c4cnccc4Cl)cc3F)ccnc2cc1OCCO
• InChI: InChI=1S/C23H17ClF2N4O5/c1-33-23-19(34-7-6-31)10-17-20(30-23)18(3-5-28-17)35-21-15(25)8-12(9-16(21)26)29-22(32)13-11-27-4-2-14(13)24/h2-5,8-11,31H,6-7H2,1H3,(H,29,32)
• InChIKey: NFRLEHLIBXYTLZ-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 115.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.86
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide?

The IUPAC name of 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide (CID 168842891) is 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide is COc1nc2c(Oc3c(F)cc(NC(=O)c4cnccc4Cl)cc3F)ccnc2cc1OCCO.

What is the InChIKey of 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide?

The InChIKey is NFRLEHLIBXYTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N4O5/c1-33-23-19(34-7-6-31)10-17-20(30-23)18(3-5-28-17)35-21-15(25)8-12(9-16(21)26)29-22(32)13-11-27-4-2-14(13)24/h2-5,8-11,31H,6-7H2,1H3,(H,29,32).

What are the key properties of 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide?

4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide has a molecular weight of 502.86 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 168842891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).