1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C17H23N3O2 — CID 4660897

IUPAC1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCC(C)C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H23N3O2/c1-5-20-10-14(17(22)18-9-8-11(2)3)15(21)13-7-6-12(4)19-16(13)20/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,22)
InChIKeySXSGAWPIAVOFJE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.50
Rot. Bonds5

About 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 4660897) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID4660897
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCC(C)C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H23N3O2/c1-5-20-10-14(17(22)18-9-8-11(2)3)15(21)13-7-6-12(4)19-16(13)20/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,22)
InChIKeySXSGAWPIAVOFJE-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 100907336
1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
CID 90588663
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N-[1-(4-fluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087103
N-(4-butan-2-ylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 3188582
1-ethyl-7-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 53087106
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4285783
1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91640816

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 4660897) is 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCC(C)C)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SXSGAWPIAVOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-20-10-14(17(22)18-9-8-11(2)3)15(21)13-7-6-12(4)19-16(13)20/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,22).
What are the key properties of 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 4660897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).