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

C23H25FN4O5 — CID 54679143

IUPAC7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1
InChIInChI=1S/C23H25FN4O5/c1-25-18(30)6-4-15-11-16(24)5-3-14(15)9-13-10-17-20(27-12-13)21(31)19(23(33)28(17)2)22(32)26-7-8-29/h3,5,10-12,29,31H,4,6-9H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyKEOMHHWENVJAKH-UHFFFAOYSA-N
MW456.47 g/mol
LogP0.77
Rot. Bonds8

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

7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679143) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679143
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1
InChIInChI=1S/C23H25FN4O5/c1-25-18(30)6-4-15-11-16(24)5-3-14(15)9-13-10-17-20(27-12-13)21(31)19(23(33)28(17)2)22(32)26-7-8-29/h3,5,10-12,29,31H,4,6-9H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyKEOMHHWENVJAKH-UHFFFAOYSA-N
XLogP0.77
TPSA133.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679143) is 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CNC(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1.
What is the InChIKey of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is KEOMHHWENVJAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-25-18(30)6-4-15-11-16(24)5-3-14(15)9-13-10-17-20(27-12-13)21(31)19(23(33)28(17)2)22(32)26-7-8-29/h3,5,10-12,29,31H,4,6-9H2,1-2H3,(H,25,30)(H,26,32).
What are the key properties of 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).