7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

C23H25FN4O4 — CID 58882983

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H25FN4O4/c1-27-18-13-16(12-15-2-4-17(24)5-3-15)14-26-20(18)21(29)19(23(27)31)22(30)25-6-7-28-8-10-32-11-9-28/h2-5,13-14,29H,6-12H2,1H3,(H,25,30)
InChIKeyCMTZLJPHBPJAIR-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.43
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 58882983) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID58882983
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H25FN4O4/c1-27-18-13-16(12-15-2-4-17(24)5-3-15)14-26-20(18)21(29)19(23(27)31)22(30)25-6-7-28-8-10-32-11-9-28/h2-5,13-14,29H,6-12H2,1H3,(H,25,30)
InChIKeyCMTZLJPHBPJAIR-UHFFFAOYSA-N
XLogP1.43
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 58882983) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is CMTZLJPHBPJAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-27-18-13-16(12-15-2-4-17(24)5-3-15)14-26-20(18)21(29)19(23(27)31)22(30)25-6-7-28-8-10-32-11-9-28/h2-5,13-14,29H,6-12H2,1H3,(H,25,30).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).