1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C23H20N4O4 — CID 3237088

IUPAC1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H20N4O4/c1-3-27-13-18(20(28)17-11-6-14(2)24-21(17)27)22(29)25-15-7-9-16(10-8-15)26-23(30)19-5-4-12-31-19/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyAAQJARWXLCMGRR-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.82
Rot. Bonds5

About 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 3237088) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID3237088
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H20N4O4/c1-3-27-13-18(20(28)17-11-6-14(2)24-21(17)27)22(29)25-15-7-9-16(10-8-15)26-23(30)19-5-4-12-31-19/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyAAQJARWXLCMGRR-UHFFFAOYSA-N
XLogP3.82
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 3237088) is 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AAQJARWXLCMGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-27-13-18(20(28)17-11-6-14(2)24-21(17)27)22(29)25-15-7-9-16(10-8-15)26-23(30)19-5-4-12-31-19/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(furan-2-carbonylamino)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3237088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).