2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol

C28H34F2N4O4 — CID 145332960

About 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol

2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol (PubChem CID 145332960) has the molecular formula C28H34F2N4O4 and a molecular weight of 528.60 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol
• PubChem CID: 145332960
• Molecular Formula: C28H34F2N4O4
• Molecular Weight: 528.60 g/mol
• Exact Mass: 528.25
• IUPAC Name: 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol
• SMILES: COCCN1CCCc2ncc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cc21.OCCO
• InChI: InChI=1S/C26H28F2N4O2.C2H6O2/c1-17-6-7-20(31-25(33)18-8-9-29-24(14-18)26(2,27)28)15-21(17)19-13-23-22(30-16-19)5-4-10-32(23)11-12-34-3;3-1-2-4/h6-9,13-16H,4-5,10-12H2,1-3H3,(H,31,33);3-4H,1-2H2
• InChIKey: VJOTVRMIELAFES-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 107.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.60
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol?

The IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol (CID 145332960) is 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol.

What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol?

The canonical SMILES for 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol is COCCN1CCCc2ncc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cc21.OCCO.

What is the InChIKey of 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol?

The InChIKey is VJOTVRMIELAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2.C2H6O2/c1-17-6-7-20(31-25(33)18-8-9-29-24(14-18)26(2,27)28)15-21(17)19-13-23-22(30-16-19)5-4-10-32(23)11-12-34-3;3-1-2-4/h6-9,13-16H,4-5,10-12H2,1-3H3,(H,31,33);3-4H,1-2H2.

What are the key properties of 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol?

2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol has a molecular weight of 528.60 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol is sourced from PubChem (CID 145332960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).