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

C23H26FN5O5 — CID 69480931

IUPAC1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)NCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H26FN5O5/c1-28(2)23(34)26-7-9-29-17-12-15(11-14-3-5-16(24)6-4-14)13-27-19(17)20(31)18(22(29)33)21(32)25-8-10-30/h3-6,12-13,30-31H,7-11H2,1-2H3,(H,25,32)(H,26,34)
InChIKeyQXHYYVQTWZHBJK-UHFFFAOYSA-N
MW471.49 g/mol
LogP0.83
Rot. Bonds8

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

1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480931) has the molecular formula C23H26FN5O5 and a molecular weight of 471.49 g/mol. Its IUPAC name is 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69480931
Molecular FormulaC23H26FN5O5
Molecular Weight471.49 g/mol
Exact Mass471.19
IUPAC Name1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)NCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H26FN5O5/c1-28(2)23(34)26-7-9-29-17-12-15(11-14-3-5-16(24)6-4-14)13-27-19(17)20(31)18(22(29)33)21(32)25-8-10-30/h3-6,12-13,30-31H,7-11H2,1-2H3,(H,25,32)(H,26,34)
InChIKeyQXHYYVQTWZHBJK-UHFFFAOYSA-N
XLogP0.83
TPSA136.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480931) is 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)NCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is QXHYYVQTWZHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5/c1-28(2)23(34)26-7-9-29-17-12-15(11-14-3-5-16(24)6-4-14)13-27-19(17)20(31)18(22(29)33)21(32)25-8-10-30/h3-6,12-13,30-31H,7-11H2,1-2H3,(H,25,32)(H,26,34).
What are the key properties of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).