7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

C24H27FN4O4 — CID 59799184

IUPAC7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O
InChIInChI=1S/C24H27FN4O4/c1-4-9-27-23(32)20-22(31)21-18(29(3)24(20)33)11-14(13-28-21)10-15-5-7-17(25)12-16(15)6-8-19(30)26-2/h5,7,11-13,31H,4,6,8-10H2,1-3H3,(H,26,30)(H,27,32)
InChIKeyJQMIRGVZZWVXCC-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.19
Rot. Bonds8

About 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (PubChem CID 59799184) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
PubChem CID59799184
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O
InChIInChI=1S/C24H27FN4O4/c1-4-9-27-23(32)20-22(31)21-18(29(3)24(20)33)11-14(13-28-21)10-15-5-7-17(25)12-16(15)6-8-19(30)26-2/h5,7,11-13,31H,4,6,8-10H2,1-3H3,(H,26,30)(H,27,32)
InChIKeyJQMIRGVZZWVXCC-UHFFFAOYSA-N
XLogP2.19
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (CID 59799184) is 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O.
What is the InChIKey of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The InChIKey is JQMIRGVZZWVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-4-9-27-23(32)20-22(31)21-18(29(3)24(20)33)11-14(13-28-21)10-15-5-7-17(25)12-16(15)6-8-19(30)26-2/h5,7,11-13,31H,4,6,8-10H2,1-3H3,(H,26,30)(H,27,32).
What are the key properties of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 59799184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).