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

C24H27FN4O5 — CID 54679147

IUPAC7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1
InChIInChI=1S/C24H27FN4O5/c1-28(2)19(31)7-5-16-12-17(25)6-4-15(16)10-14-11-18-21(27-13-14)22(32)20(24(34)29(18)3)23(33)26-8-9-30/h4,6,11-13,30,32H,5,7-10H2,1-3H3,(H,26,33)
InChIKeyVFJGJNHWXHWXTA-UHFFFAOYSA-N
MW470.50 g/mol
LogP1.11
Rot. Bonds8

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

7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679147) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679147
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1
InChIInChI=1S/C24H27FN4O5/c1-28(2)19(31)7-5-16-12-17(25)6-4-15(16)10-14-11-18-21(27-13-14)22(32)20(24(34)29(18)3)23(33)26-8-9-30/h4,6,11-13,30,32H,5,7-10H2,1-3H3,(H,26,33)
InChIKeyVFJGJNHWXHWXTA-UHFFFAOYSA-N
XLogP1.11
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679147) is 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1.
What is the InChIKey of 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is VFJGJNHWXHWXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-28(2)19(31)7-5-16-12-17(25)6-4-15(16)10-14-11-18-21(27-13-14)22(32)20(24(34)29(18)3)23(33)26-8-9-30/h4,6,11-13,30,32H,5,7-10H2,1-3H3,(H,26,33).
What are the key properties of 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).