7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C18H20N4O4S — CID 112521938

IUPAC7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)NS(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C18H20N4O4S/c1-12(23)22-7-6-16-14(11-22)9-20-10-17(16)18(24)21-27(25,26)15-4-2-13(8-19)3-5-15/h2-5,9-10H,6-8,11,19H2,1H3,(H,21,24)
InChIKeyASKNQZYTWCIBSC-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.56
Rot. Bonds4

About 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112521938) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112521938
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)NS(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C18H20N4O4S/c1-12(23)22-7-6-16-14(11-22)9-20-10-17(16)18(24)21-27(25,26)15-4-2-13(8-19)3-5-15/h2-5,9-10H,6-8,11,19H2,1H3,(H,21,24)
InChIKeyASKNQZYTWCIBSC-UHFFFAOYSA-N
XLogP0.56
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522295
7-acetyl-N-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524858
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112526485
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522292
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529746

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112521938) is 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(=O)N1CCc2c(cncc2C(=O)NS(=O)(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is ASKNQZYTWCIBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12(23)22-7-6-16-14(11-22)9-20-10-17(16)18(24)21-27(25,26)15-4-2-13(8-19)3-5-15/h2-5,9-10H,6-8,11,19H2,1H3,(H,21,24).
What are the key properties of 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112521938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).