[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium

C25H33N4O2+ — CID 7620129

IUPAC[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H32N4O2/c1-4-28(5-2)16-10-11-19(3)27-24(30)22-17-21-14-9-15-26-23(21)29(25(22)31)18-20-12-7-6-8-13-20/h6-9,12-15,17,19H,4-5,10-11,16,18H2,1-3H3,(H,27,30)/p+1/t19-/m0/s1
InChIKeyVJFQHLMHPYPDGT-IBGZPJMESA-O
MW421.57 g/mol
LogP2.27
Rot. Bonds10

About [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium

[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium (PubChem CID 7620129) has the molecular formula C25H33N4O2+ and a molecular weight of 421.57 g/mol. Its IUPAC name is [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
PubChem CID7620129
Molecular FormulaC25H33N4O2+
Molecular Weight421.57 g/mol
Exact Mass421.26
IUPAC Name[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H32N4O2/c1-4-28(5-2)16-10-11-19(3)27-24(30)22-17-21-14-9-15-26-23(21)29(25(22)31)18-20-12-7-6-8-13-20/h6-9,12-15,17,19H,4-5,10-11,16,18H2,1-3H3,(H,27,30)/p+1/t19-/m0/s1
InChIKeyVJFQHLMHPYPDGT-IBGZPJMESA-O
XLogP2.27
TPSA68.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium with MolForge

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Related Compounds

1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106
1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7619828
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844200
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620123
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium?
The IUPAC name of [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium (CID 7620129) is [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium.
What is the SMILES notation for [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium?
The canonical SMILES for [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium?
The InChIKey is VJFQHLMHPYPDGT-IBGZPJMESA-O. The full InChI is InChI=1S/C25H32N4O2/c1-4-28(5-2)16-10-11-19(3)27-24(30)22-17-21-14-9-15-26-23(21)29(25(22)31)18-20-12-7-6-8-13-20/h6-9,12-15,17,19H,4-5,10-11,16,18H2,1-3H3,(H,27,30)/p+1/t19-/m0/s1.
What are the key properties of [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium?
[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium has a molecular weight of 421.57 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium is sourced from PubChem (CID 7620129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).