N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide

C22H15ClF2N4O4 — CID 176567509

About N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide

N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 176567509) has the molecular formula C22H15ClF2N4O4 and a molecular weight of 472.84 g/mol. Its IUPAC name is N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
• PubChem CID: 176567509
• Molecular Formula: C22H15ClF2N4O4
• Molecular Weight: 472.84 g/mol
• Exact Mass: 472.07
• IUPAC Name: N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
• SMILES: COc1ccncc1C(=O)Nc1cc(F)c(Oc2ccnc3cc(Cl)nc(OC)c23)c(F)c1
• InChI: InChI=1S/C22H15ClF2N4O4/c1-31-16-3-5-26-10-12(16)21(30)28-11-7-13(24)20(14(25)8-11)33-17-4-6-27-15-9-18(23)29-22(32-2)19(15)17/h3-10H,1-2H3,(H,28,30)
• InChIKey: KJSJIZPQQKUQOQ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 95.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.84
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?

The IUPAC name of N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide (CID 176567509) is N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide is COc1ccncc1C(=O)Nc1cc(F)c(Oc2ccnc3cc(Cl)nc(OC)c23)c(F)c1.

What is the InChIKey of N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?

The InChIKey is KJSJIZPQQKUQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N4O4/c1-31-16-3-5-26-10-12(16)21(30)28-11-7-13(24)20(14(25)8-11)33-17-4-6-27-15-9-18(23)29-22(32-2)19(15)17/h3-10H,1-2H3,(H,28,30).

What are the key properties of N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?

N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 472.84 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 176567509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).