N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C26H24FN3O4 — CID 26844205

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC
InChIInChI=1S/C26H24FN3O4/c1-33-22-10-7-17(14-23(22)34-2)11-13-29-25(31)21-15-19-4-3-12-28-24(19)30(26(21)32)16-18-5-8-20(27)9-6-18/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,31)
InChIKeyPIEIZJDHRSICGJ-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 26844205) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID26844205
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC
InChIInChI=1S/C26H24FN3O4/c1-33-22-10-7-17(14-23(22)34-2)11-13-29-25(31)21-15-19-4-3-12-28-24(19)30(26(21)32)16-18-5-8-20(27)9-6-18/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,31)
InChIKeyPIEIZJDHRSICGJ-UHFFFAOYSA-N
XLogP3.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 26844205) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PIEIZJDHRSICGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-33-22-10-7-17(14-23(22)34-2)11-13-29-25(31)21-15-19-4-3-12-28-24(19)30(26(21)32)16-18-5-8-20(27)9-6-18/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,31).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).