7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C23H17ClFN3O3 — CID 57395638

IUPAC7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C23H17ClFN3O3/c24-17-10-16(25)7-6-15(17)12-27-22(30)19-21(29)20-18(28-23(19)31)9-14(11-26-20)8-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2,(H,27,30)(H2,28,29,31)
InChIKeyMKBOLWCAEVSPDO-UHFFFAOYSA-N
MW437.86 g/mol
LogP3.94
Rot. Bonds5

About 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide

7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 57395638) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID57395638
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Name7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C23H17ClFN3O3/c24-17-10-16(25)7-6-15(17)12-27-22(30)19-21(29)20-18(28-23(19)31)9-14(11-26-20)8-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2,(H,27,30)(H2,28,29,31)
InChIKeyMKBOLWCAEVSPDO-UHFFFAOYSA-N
XLogP3.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 57395638) is 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1Cl)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is MKBOLWCAEVSPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c24-17-10-16(25)7-6-15(17)12-27-22(30)19-21(29)20-18(28-23(19)31)9-14(11-26-20)8-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2,(H,27,30)(H2,28,29,31).
What are the key properties of 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 437.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57395638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).