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

C25H29FN4O7 — CID 54679079

IUPAC7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc2n(C)c1=O
InChIInChI=1S/C25H29FN4O7/c1-29-19-12-15(14-28-21(19)22(33)20(25(29)36)23(34)27-5-10-37-2)11-16-3-4-17(26)13-18(16)24(35)30(6-8-31)7-9-32/h3-4,12-14,31-33H,5-11H2,1-2H3,(H,27,34)
InChIKeyBZCNQDWIYMNRKQ-UHFFFAOYSA-N
MW516.53 g/mol
LogP0.17
Rot. Bonds11

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

7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679079) has the molecular formula C25H29FN4O7 and a molecular weight of 516.53 g/mol. Its IUPAC name is 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679079
Molecular FormulaC25H29FN4O7
Molecular Weight516.53 g/mol
Exact Mass516.20
IUPAC Name7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc2n(C)c1=O
InChIInChI=1S/C25H29FN4O7/c1-29-19-12-15(14-28-21(19)22(33)20(25(29)36)23(34)27-5-10-37-2)11-16-3-4-17(26)13-18(16)24(35)30(6-8-31)7-9-32/h3-4,12-14,31-33H,5-11H2,1-2H3,(H,27,34)
InChIKeyBZCNQDWIYMNRKQ-UHFFFAOYSA-N
XLogP0.17
TPSA154.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679079) is 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc2n(C)c1=O.
What is the InChIKey of 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is BZCNQDWIYMNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O7/c1-29-19-12-15(14-28-21(19)22(33)20(25(29)36)23(34)27-5-10-37-2)11-16-3-4-17(26)13-18(16)24(35)30(6-8-31)7-9-32/h3-4,12-14,31-33H,5-11H2,1-2H3,(H,27,34).
What are the key properties of 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 516.53 g/mol, XLogP of 0.17, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).