2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C20H27N5O3S — CID 92620847

IUPAC2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1
InChIInChI=1S/C20H27N5O3S/c1-3-24(4-2)29(27,28)25-11-10-18-16(14-25)12-17(19(21)23-18)20(26)22-13-15-8-6-5-7-9-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H2,21,23)(H,22,26)
InChIKeyKEWGOMNZACAVRC-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.54
Rot. Bonds7

About 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 92620847) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID92620847
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1
InChIInChI=1S/C20H27N5O3S/c1-3-24(4-2)29(27,28)25-11-10-18-16(14-25)12-17(19(21)23-18)20(26)22-13-15-8-6-5-7-9-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H2,21,23)(H,22,26)
InChIKeyKEWGOMNZACAVRC-UHFFFAOYSA-N
XLogP1.54
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 110085368
2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 155984835
2-amino-6-[(2-methoxy-3-methylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620984
N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110260296
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92621093
2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92621085
2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide
CID 155911363
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
2-amino-6-(2-methoxyacetyl)-N-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620838
methyl 2-[[7-(benzylcarbamoyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzoate
CID 50843325

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 92620847) is 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CCN(CC)S(=O)(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1.
What is the InChIKey of 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is KEWGOMNZACAVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-3-24(4-2)29(27,28)25-11-10-18-16(14-25)12-17(19(21)23-18)20(26)22-13-15-8-6-5-7-9-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H2,21,23)(H,22,26).
What are the key properties of 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 92620847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).