6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

C27H26ClFN4O5 — CID 69060978

About 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 69060978) has the molecular formula C27H26ClFN4O5 and a molecular weight of 540.98 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
• PubChem CID: 69060978
• Molecular Formula: C27H26ClFN4O5
• Molecular Weight: 540.98 g/mol
• Exact Mass: 540.16
• IUPAC Name: 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1
• InChI: InChI=1S/C27H26ClFN4O5/c1-30(2)24(35)16-6-8-17(9-7-16)33-22(26(37)31(3)4)18-11-12-32(25(36)21(18)23(34)27(33)38)14-15-5-10-20(29)19(28)13-15/h5-10,13,34H,11-12,14H2,1-4H3
• InChIKey: AKVCSAFLXQIENA-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.98
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 69060978) is 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CN(C)C(=O)c1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1.

What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

The InChIKey is AKVCSAFLXQIENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O5/c1-30(2)24(35)16-6-8-17(9-7-16)33-22(26(37)31(3)4)18-11-12-32(25(36)21(18)23(34)27(33)38)14-15-5-10-20(29)19(28)13-15/h5-10,13,34H,11-12,14H2,1-4H3.

What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 540.98 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(dimethylcarbamoyl)phenyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 69060978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).