1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C21H24N4O2 — CID 7620123

IUPAC1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H24N4O2/c1-24(2)13-7-12-23-20(26)18-14-17-10-6-11-22-19(17)25(21(18)27)15-16-8-4-3-5-9-16/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyTWSGFMVQPWFXBM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.13
Rot. Bonds7

About 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620123) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620123
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H24N4O2/c1-24(2)13-7-12-23-20(26)18-14-17-10-6-11-22-19(17)25(21(18)27)15-16-8-4-3-5-9-16/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyTWSGFMVQPWFXBM-UHFFFAOYSA-N
XLogP2.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
1-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621175
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181
1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996348
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620423
1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620183

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620123) is 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CN(C)CCCNC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is TWSGFMVQPWFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24(2)13-7-12-23-20(26)18-14-17-10-6-11-22-19(17)25(21(18)27)15-16-8-4-3-5-9-16/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).