N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide

C30H33FN6O2S — CID 176666719

About N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide

N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide (PubChem CID 176666719) has the molecular formula C30H33FN6O2S and a molecular weight of 560.70 g/mol. Its IUPAC name is N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 176666719
• Molecular Formula: C30H33FN6O2S
• Molecular Weight: 560.70 g/mol
• Exact Mass: 560.24
• IUPAC Name: N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCc2cc3nc(-c4cc(F)cc(N5CC(C)CC(C)C5)n4)ccc3cn2)cc1SCCO
• InChI: InChI=1S/C30H33FN6O2S/c1-18-8-19(2)17-37(16-18)29-11-23(31)10-27(36-29)25-5-4-21-13-33-24(12-26(21)35-25)15-34-30(39)22-9-28(40-7-6-38)20(3)32-14-22/h4-5,9-14,18-19,38H,6-8,15-17H2,1-3H3,(H,34,39)
• InChIKey: AURAXSYEXJTSFO-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 104.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.70
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide (CID 176666719) is N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)NCc2cc3nc(-c4cc(F)cc(N5CC(C)CC(C)C5)n4)ccc3cn2)cc1SCCO.

What is the InChIKey of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide?

The InChIKey is AURAXSYEXJTSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2S/c1-18-8-19(2)17-37(16-18)29-11-23(31)10-27(36-29)25-5-4-21-13-33-24(12-26(21)35-25)15-34-30(39)22-9-28(40-7-6-38)20(3)32-14-22/h4-5,9-14,18-19,38H,6-8,15-17H2,1-3H3,(H,34,39).

What are the key properties of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide?

N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide has a molecular weight of 560.70 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).