7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide

C27H25FN4O3S — CID 69481055

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69481055) has the molecular formula C27H25FN4O3S and a molecular weight of 504.59 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69481055
• Molecular Formula: C27H25FN4O3S
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.16
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide
• SMILES: O=C(NC1CCSCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cccnc2)c1=O
• InChI: InChI=1S/C27H25FN4O3S/c28-20-5-3-17(4-6-20)12-19-13-22-24(30-15-19)25(33)23(26(34)31-21-7-10-36-11-8-21)27(35)32(22)16-18-2-1-9-29-14-18/h1-6,9,13-15,21,33H,7-8,10-12,16H2,(H,31,34)
• InChIKey: NOICVUKJOKMCCD-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide (CID 69481055) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide is O=C(NC1CCSCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cccnc2)c1=O.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide?

The InChIKey is NOICVUKJOKMCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3S/c28-20-5-3-17(4-6-20)12-19-13-22-24(30-15-19)25(33)23(26(34)31-21-7-10-36-11-8-21)27(35)32(22)16-18-2-1-9-29-14-18/h1-6,9,13-15,21,33H,7-8,10-12,16H2,(H,31,34).

What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide?

7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).