dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium

C15H21N4O2+ — CID 7619386

IUPACdimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
SMILESCn1c(=O)c(C(=O)NCCC[NH+](C)C)cc2cccnc21
InChIInChI=1S/C15H20N4O2/c1-18(2)9-5-8-17-14(20)12-10-11-6-4-7-16-13(11)19(3)15(12)21/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,20)/p+1
InChIKeyOYGGDVHXDLAOJS-UHFFFAOYSA-O
MW289.36 g/mol
LogP-0.80
Rot. Bonds5

About dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium

dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium (PubChem CID 7619386) has the molecular formula C15H21N4O2+ and a molecular weight of 289.36 g/mol. Its IUPAC name is dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
PubChem CID7619386
Molecular FormulaC15H21N4O2+
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Namedimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
SMILESCn1c(=O)c(C(=O)NCCC[NH+](C)C)cc2cccnc21
InChIInChI=1S/C15H20N4O2/c1-18(2)9-5-8-17-14(20)12-10-11-6-4-7-16-13(11)19(3)15(12)21/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,20)/p+1
InChIKeyOYGGDVHXDLAOJS-UHFFFAOYSA-O
XLogP-0.80
TPSA68.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7619447
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619615
N-[2-(3-methoxyphenyl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619614
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619271
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium?
The IUPAC name of dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium (CID 7619386) is dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium is Cn1c(=O)c(C(=O)NCCC[NH+](C)C)cc2cccnc21.
What is the InChIKey of dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium?
The InChIKey is OYGGDVHXDLAOJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O2/c1-18(2)9-5-8-17-14(20)12-10-11-6-4-7-16-13(11)19(3)15(12)21/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,20)/p+1.
What are the key properties of dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium?
dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium has a molecular weight of 289.36 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium is sourced from PubChem (CID 7619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).