7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C18H21N3O5S2 — CID 112522292

IUPAC7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2CCN(S(C)(=O)=O)C3)cc1
InChIInChI=1S/C18H21N3O5S2/c1-27(23,24)15-5-3-13(4-6-15)9-20-18(22)17-11-19-10-14-12-21(28(2,25)26)8-7-16(14)17/h3-6,10-11H,7-9,12H2,1-2H3,(H,20,22)
InChIKeyWZRLUMQCPSYUPU-UHFFFAOYSA-N
MW423.52 g/mol
LogP0.73
Rot. Bonds5

About 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112522292) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112522292
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC Name7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2CCN(S(C)(=O)=O)C3)cc1
InChIInChI=1S/C18H21N3O5S2/c1-27(23,24)15-5-3-13(4-6-15)9-20-18(22)17-11-19-10-14-12-21(28(2,25)26)8-7-16(14)17/h3-6,10-11H,7-9,12H2,1-2H3,(H,20,22)
InChIKeyWZRLUMQCPSYUPU-UHFFFAOYSA-N
XLogP0.73
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522295
N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112520050
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530801
(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 112530448
5-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112528408
ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
[4-(hydroxymethyl)piperidin-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112531750
N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112521808
7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521938
7-methyl-N-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530216
ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528300

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112522292) is 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2CCN(S(C)(=O)=O)C3)cc1.
What is the InChIKey of 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is WZRLUMQCPSYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-27(23,24)15-5-3-13(4-6-15)9-20-18(22)17-11-19-10-14-12-21(28(2,25)26)8-7-16(14)17/h3-6,10-11H,7-9,12H2,1-2H3,(H,20,22).
What are the key properties of 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112522292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).