7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

C22H22FN5O4 — CID 69480439

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCN2CCNC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C22H22FN5O4/c1-27-16-11-14(10-13-2-4-15(23)5-3-13)12-26-18(16)19(29)17(21(27)31)20(30)24-6-8-28-9-7-25-22(28)32/h2-5,11-12,29H,6-10H2,1H3,(H,24,30)(H,25,32)
InChIKeyGJMZOCBMDJSXPQ-UHFFFAOYSA-N
MW439.45 g/mol
LogP1.12
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69480439) has the molecular formula C22H22FN5O4 and a molecular weight of 439.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID69480439
Molecular FormulaC22H22FN5O4
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCN2CCNC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C22H22FN5O4/c1-27-16-11-14(10-13-2-4-15(23)5-3-13)12-26-18(16)19(29)17(21(27)31)20(30)24-6-8-28-9-7-25-22(28)32/h2-5,11-12,29H,6-10H2,1H3,(H,24,30)(H,25,32)
InChIKeyGJMZOCBMDJSXPQ-UHFFFAOYSA-N
XLogP1.12
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69480439) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCN2CCNC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is GJMZOCBMDJSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4/c1-27-16-11-14(10-13-2-4-15(23)5-3-13)12-26-18(16)19(29)17(21(27)31)20(30)24-6-8-28-9-7-25-22(28)32/h2-5,11-12,29H,6-10H2,1H3,(H,24,30)(H,25,32).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).