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

C22H25ClFN3O4 — CID 54681876

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

6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54681876) has the molecular formula C22H25ClFN3O4 and a molecular weight of 449.91 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
• PubChem CID: 54681876
• Molecular Formula: C22H25ClFN3O4
• Molecular Weight: 449.91 g/mol
• Exact Mass: 449.15
• IUPAC Name: 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
• SMILES: CC(C)Cn1c(C(=O)N(C)C)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
• InChI: InChI=1S/C22H25ClFN3O4/c1-12(2)10-27-18(21(30)25(3)4)14-7-8-26(20(29)17(14)19(28)22(27)31)11-13-5-6-16(24)15(23)9-13/h5-6,9,12,28H,7-8,10-11H2,1-4H3
• InChIKey: IMOSQAKAJBOUME-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 82.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.91
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54681876) is 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

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

The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CC(C)Cn1c(C(=O)N(C)C)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2.

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

The InChIKey is IMOSQAKAJBOUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O4/c1-12(2)10-27-18(21(30)25(3)4)14-7-8-26(20(29)17(14)19(28)22(27)31)11-13-5-6-16(24)15(23)9-13/h5-6,9,12,28H,7-8,10-11H2,1-4H3.

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

6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 449.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(2-methylpropyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54681876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).