1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

C21H28N4O3 — CID 54681510

IUPAC1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2cccnc21
InChIInChI=1S/C21H28N4O3/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2/h5-6,9,13-15,26H,3-4,7-8,10-12H2,1-2H3,(H,23,27)
InChIKeyXLVVGMWYXBVUJZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.26
Rot. Bonds5

About 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54681510) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54681510
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2cccnc21
InChIInChI=1S/C21H28N4O3/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2/h5-6,9,13-15,26H,3-4,7-8,10-12H2,1-2H3,(H,23,27)
InChIKeyXLVVGMWYXBVUJZ-UHFFFAOYSA-N
XLogP2.26
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54681510) is 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2cccnc21.
What is the InChIKey of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XLVVGMWYXBVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2/h5-6,9,13-15,26H,3-4,7-8,10-12H2,1-2H3,(H,23,27).
What are the key properties of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54681510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).