5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

C29H29FN4O5 — CID 164905096

About 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 164905096) has the molecular formula C29H29FN4O5 and a molecular weight of 532.57 g/mol. Its IUPAC name is 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
• PubChem CID: 164905096
• Molecular Formula: C29H29FN4O5
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.21
• IUPAC Name: 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(C5CCCC5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C29H29FN4O5/c1-16-25(17-7-5-6-8-17)27(35)19(15-34(16)2)28(36)32-18-9-10-22(20(30)13-18)39-23-11-12-31-21-14-24(37-3)29(38-4)33-26(21)23/h9-15,17H,5-8H2,1-4H3,(H,32,36)
• InChIKey: BXYJYOXOSYLMJM-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 164905096) is 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(C5CCCC5)c4=O)cc3F)c2nc1OC.

What is the InChIKey of 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?

The InChIKey is BXYJYOXOSYLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O5/c1-16-25(17-7-5-6-8-17)27(35)19(15-34(16)2)28(36)32-18-9-10-22(20(30)13-18)39-23-11-12-31-21-14-24(37-3)29(38-4)33-26(21)23/h9-15,17H,5-8H2,1-4H3,(H,32,36).

What are the key properties of 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?

5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 164905096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).