5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide

C26H27N3O3 — CID 59212377

IUPAC5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C(C)(C)C)o3)ccc1C)c(=O)n2C
InChIInChI=1S/C26H27N3O3/c1-15-7-8-18(28-24(30)22-9-10-23(32-22)26(3,4)5)13-19(15)20-12-17-14-27-16(2)11-21(17)29(6)25(20)31/h7-14H,1-6H3,(H,28,30)
InChIKeyFJKQMBKHBULLSI-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.36
Rot. Bonds3

About 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide

5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide (PubChem CID 59212377) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
PubChem CID59212377
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C(C)(C)C)o3)ccc1C)c(=O)n2C
InChIInChI=1S/C26H27N3O3/c1-15-7-8-18(28-24(30)22-9-10-23(32-22)26(3,4)5)13-19(15)20-12-17-14-27-16(2)11-21(17)29(6)25(20)31/h7-14H,1-6H3,(H,28,30)
InChIKeyFJKQMBKHBULLSI-UHFFFAOYSA-N
XLogP5.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide (CID 59212377) is 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C(C)(C)C)o3)ccc1C)c(=O)n2C.
What is the InChIKey of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide?
The InChIKey is FJKQMBKHBULLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-15-7-8-18(28-24(30)22-9-10-23(32-22)26(3,4)5)13-19(15)20-12-17-14-27-16(2)11-21(17)29(6)25(20)31/h7-14H,1-6H3,(H,28,30).
What are the key properties of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide?
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 59212377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).