N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide

C31H28FN5O6 — CID 156841031

About N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 156841031) has the molecular formula C31H28FN5O6 and a molecular weight of 585.59 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 156841031
• Molecular Formula: C31H28FN5O6
• Molecular Weight: 585.59 g/mol
• Exact Mass: 585.20
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide
• SMILES: COCc1[nH]c(C)c(-c2cccc(C)n2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
• InChI: InChI=1S/C31H28FN5O6/c1-16-7-6-8-20(34-16)26-17(2)35-22(15-40-3)27(29(26)38)30(39)36-18-9-10-23(19(32)13-18)43-24-11-12-33-21-14-25(41-4)31(42-5)37-28(21)24/h6-14H,15H2,1-5H3,(H,35,38)(H,36,39)
• InChIKey: ZYMPUZQVOUJIPC-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 137.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.59
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide (CID 156841031) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide is COCc1[nH]c(C)c(-c2cccc(C)n2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1.

What is the InChIKey of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide?

The InChIKey is ZYMPUZQVOUJIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O6/c1-16-7-6-8-20(34-16)26-17(2)35-22(15-40-3)27(29(26)38)30(39)36-18-9-10-23(19(32)13-18)43-24-11-12-33-21-14-25(41-4)31(42-5)37-28(21)24/h6-14H,15H2,1-5H3,(H,35,38)(H,36,39).

What are the key properties of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide?

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 585.59 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156841031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).