[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium

C20H25N4O3+ — CID 2557144

IUPAC[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESCCn1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H24N4O3/c1-5-24-12-15(18(25)14-9-8-13(2)22-19(14)24)20(26)21-11-16(23(3)4)17-7-6-10-27-17/h6-10,12,16H,5,11H2,1-4H3,(H,21,26)/p+1/t16-/m1/s1
InChIKeyKLUBEYRTEKLGQQ-MRXNPFEDSA-O
MW369.45 g/mol
LogP0.93
Rot. Bonds6

About [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium

[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium (PubChem CID 2557144) has the molecular formula C20H25N4O3+ and a molecular weight of 369.45 g/mol. Its IUPAC name is [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
PubChem CID2557144
Molecular FormulaC20H25N4O3+
Molecular Weight369.45 g/mol
Exact Mass369.19
IUPAC Name[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESCCn1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H24N4O3/c1-5-24-12-15(18(25)14-9-8-13(2)22-19(14)24)20(26)21-11-16(23(3)4)17-7-6-10-27-17/h6-10,12,16H,5,11H2,1-4H3,(H,21,26)/p+1/t16-/m1/s1
InChIKeyKLUBEYRTEKLGQQ-MRXNPFEDSA-O
XLogP0.93
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium (CID 2557144) is [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium is CCn1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(=O)c2ccc(C)nc21.
What is the InChIKey of [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The InChIKey is KLUBEYRTEKLGQQ-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H24N4O3/c1-5-24-12-15(18(25)14-9-8-13(2)22-19(14)24)20(26)21-11-16(23(3)4)17-7-6-10-27-17/h6-10,12,16H,5,11H2,1-4H3,(H,21,26)/p+1/t16-/m1/s1.
What are the key properties of [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium has a molecular weight of 369.45 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 2557144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).