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

C24H27FN4O7 — CID 54679078

IUPAC7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc21
InChIInChI=1S/C24H27FN4O7/c1-28-18-11-14(13-27-20(18)21(33)19(24(28)36)22(34)26-4-7-30)10-15-2-3-16(25)12-17(15)23(35)29(5-8-31)6-9-32/h2-3,11-13,30-33H,4-10H2,1H3,(H,26,34)
InChIKeyKNBWSURAZQRSCF-UHFFFAOYSA-N
MW502.50 g/mol
LogP-0.48
Rot. Bonds10

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

7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679078) has the molecular formula C24H27FN4O7 and a molecular weight of 502.50 g/mol. Its IUPAC name is 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679078
Molecular FormulaC24H27FN4O7
Molecular Weight502.50 g/mol
Exact Mass502.19
IUPAC Name7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc21
InChIInChI=1S/C24H27FN4O7/c1-28-18-11-14(13-27-20(18)21(33)19(24(28)36)22(34)26-4-7-30)10-15-2-3-16(25)12-17(15)23(35)29(5-8-31)6-9-32/h2-3,11-13,30-33H,4-10H2,1H3,(H,26,34)
InChIKeyKNBWSURAZQRSCF-UHFFFAOYSA-N
XLogP-0.48
TPSA165.22 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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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-hydroxyethyl)-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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679078) is 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-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-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc21.
What is the InChIKey of 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is KNBWSURAZQRSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O7/c1-28-18-11-14(13-27-20(18)21(33)19(24(28)36)22(34)26-4-7-30)10-15-2-3-16(25)12-17(15)23(35)29(5-8-31)6-9-32/h2-3,11-13,30-33H,4-10H2,1H3,(H,26,34).
What are the key properties of 7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 502.50 g/mol, XLogP of -0.48, 10 rotatable bonds, 5 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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).