2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

C17H21N3O3S — CID 97381994

IUPAC2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCS(=O)(=O)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C17H21N3O3S/c1-2-24(21,22)20-8-5-17-15(11-20)9-19-10-16(17)13-23-12-14-3-6-18-7-4-14/h3-4,6-7,9-10H,2,5,8,11-13H2,1H3
InChIKeyXDUWHPMIKKFQGQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.90
Rot. Bonds6

About 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97381994) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97381994
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCS(=O)(=O)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C17H21N3O3S/c1-2-24(21,22)20-8-5-17-15(11-20)9-19-10-16(17)13-23-12-14-3-6-18-7-4-14/h3-4,6-7,9-10H,2,5,8,11-13H2,1H3
InChIKeyXDUWHPMIKKFQGQ-UHFFFAOYSA-N
XLogP1.90
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381913
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381927
2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463718
5-(ethoxymethyl)-2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 97463719
5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 97463727
5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 97463729
2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine
CID 97463758
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463841
2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463700
5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine;2,2,2-trifluoroacetic acid
CID 118742732
3-({[4,4-Difluoro-1-(propane-1-sulfonyl)piperidin-3-YL]methoxy}methyl)pyridine
CID 124051336

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97381994) is 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is CCS(=O)(=O)N1CCc2c(COCc3ccncc3)cncc2C1.
What is the InChIKey of 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is XDUWHPMIKKFQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-24(21,22)20-8-5-17-15(11-20)9-19-10-16(17)13-23-12-14-3-6-18-7-4-14/h3-4,6-7,9-10H,2,5,8,11-13H2,1H3.
What are the key properties of 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 347.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97381994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).