2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine

C15H17N3O3S — CID 68847658

IUPAC2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1cc(C)cnc1S(=O)(=O)N1CCc2cnccc2C1
InChIInChI=1S/C15H17N3O3S/c1-11-7-14(21-2)15(17-8-11)22(19,20)18-6-4-12-9-16-5-3-13(12)10-18/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyKIOUXBFUKTZPQW-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.54
Rot. Bonds3

About 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine

2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 68847658) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID68847658
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1cc(C)cnc1S(=O)(=O)N1CCc2cnccc2C1
InChIInChI=1S/C15H17N3O3S/c1-11-7-14(21-2)15(17-8-11)22(19,20)18-6-4-12-9-16-5-3-13(12)10-18/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyKIOUXBFUKTZPQW-UHFFFAOYSA-N
XLogP1.54
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine (CID 68847658) is 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine is COc1cc(C)cnc1S(=O)(=O)N1CCc2cnccc2C1.
What is the InChIKey of 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is KIOUXBFUKTZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-7-14(21-2)15(17-8-11)22(19,20)18-6-4-12-9-16-5-3-13(12)10-18/h3,5,7-9H,4,6,10H2,1-2H3.
What are the key properties of 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine?
2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 319.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 68847658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).