5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C24H24FN5O4 — CID 44579068

IUPAC5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)CN1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O
InChIInChI=1S/C24H24FN5O4/c1-29(2)19(32)13-30-12-15(10-18(30)31)20-17-4-3-9-26-21(17)23(33)22(28-20)24(34)27-11-14-5-7-16(25)8-6-14/h3-9,15,33H,10-13H2,1-2H3,(H,27,34)
InChIKeyMMQKXGDYQHMHSZ-UHFFFAOYSA-N
MW465.49 g/mol
LogP1.81
Rot. Bonds6

About 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 44579068) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID44579068
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)CN1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O
InChIInChI=1S/C24H24FN5O4/c1-29(2)19(32)13-30-12-15(10-18(30)31)20-17-4-3-9-26-21(17)23(33)22(28-20)24(34)27-11-14-5-7-16(25)8-6-14/h3-9,15,33H,10-13H2,1-2H3,(H,27,34)
InChIKeyMMQKXGDYQHMHSZ-UHFFFAOYSA-N
XLogP1.81
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 44579068) is 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CN(C)C(=O)CN1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O.
What is the InChIKey of 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is MMQKXGDYQHMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-29(2)19(32)13-30-12-15(10-18(30)31)20-17-4-3-9-26-21(17)23(33)22(28-20)24(34)27-11-14-5-7-16(25)8-6-14/h3-9,15,33H,10-13H2,1-2H3,(H,27,34).
What are the key properties of 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 44579068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).