N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide

C24H27ClN4O5 — CID 118135935

About N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide (PubChem CID 118135935) has the molecular formula C24H27ClN4O5 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide
• PubChem CID: 118135935
• Molecular Formula: C24H27ClN4O5
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.17
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide
• SMILES: CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(=O)[nH]c21
• InChI: InChI=1S/C24H27ClN4O5/c1-24(2,14-30)13-28(3)20(32)12-29-21-16(6-9-19(31)27-21)10-18(23(29)34)22(33)26-11-15-4-7-17(25)8-5-15/h4-10,30H,11-14H2,1-3H3,(H,26,33)(H,27,31)
• InChIKey: VYWOHKZPZSTJDE-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 124.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide (CID 118135935) is N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide is CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(=O)[nH]c21.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide?

The InChIKey is VYWOHKZPZSTJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5/c1-24(2,14-30)13-28(3)20(32)12-29-21-16(6-9-19(31)27-21)10-18(23(29)34)22(33)26-11-15-4-7-17(25)8-5-15/h4-10,30H,11-14H2,1-3H3,(H,26,33)(H,27,31).

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide?

N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide has a molecular weight of 486.96 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).