1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C23H18ClN3O3 — CID 54727033

IUPAC1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H18ClN3O3/c24-18-11-5-4-9-16(18)13-26-22(29)19-20(28)17-10-6-12-25-21(17)27(23(19)30)14-15-7-2-1-3-8-15/h1-12,28H,13-14H2,(H,26,29)
InChIKeyGEVAYIJEFBSYND-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.73
Rot. Bonds5

About 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727033) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727033
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H18ClN3O3/c24-18-11-5-4-9-16(18)13-26-22(29)19-20(28)17-10-6-12-25-21(17)27(23(19)30)14-15-7-2-1-3-8-15/h1-12,28H,13-14H2,(H,26,29)
InChIKeyGEVAYIJEFBSYND-UHFFFAOYSA-N
XLogP3.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727016
1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727019
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631
1-benzyl-N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727021
1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54733633
N-[(2-chlorophenyl)methyl]-4-[(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)methyl]benzamide
CID 20933086
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
CID 58237987
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831581
2-[[1-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 54749345

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727033) is 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GEVAYIJEFBSYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-18-11-5-4-9-16(18)13-26-22(29)19-20(28)17-10-6-12-25-21(17)27(23(19)30)14-15-7-2-1-3-8-15/h1-12,28H,13-14H2,(H,26,29).
What are the key properties of 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).