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

C23H24FN3O4 — CID 69480289

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NC2(CO)CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H24FN3O4/c1-27-17-11-15(10-14-4-6-16(24)7-5-14)12-25-19(17)20(29)18(22(27)31)21(30)26-23(13-28)8-2-3-9-23/h4-7,11-12,28-29H,2-3,8-10,13H2,1H3,(H,26,30)
InChIKeyYUXVWYIJHBNXND-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.40
Rot. Bonds5

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480289) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69480289
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NC2(CO)CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H24FN3O4/c1-27-17-11-15(10-14-4-6-16(24)7-5-14)12-25-19(17)20(29)18(22(27)31)21(30)26-23(13-28)8-2-3-9-23/h4-7,11-12,28-29H,2-3,8-10,13H2,1H3,(H,26,30)
InChIKeyYUXVWYIJHBNXND-UHFFFAOYSA-N
XLogP2.40
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.40
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-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480289) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NC2(CO)CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is YUXVWYIJHBNXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-27-17-11-15(10-14-4-6-16(24)7-5-14)12-25-19(17)20(29)18(22(27)31)21(30)26-23(13-28)8-2-3-9-23/h4-7,11-12,28-29H,2-3,8-10,13H2,1H3,(H,26,30).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.40, 5 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-N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).