6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H20N4O3S — CID 86305372

IUPAC6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCS(=O)(=O)CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H20N4O3S/c1-25(23,24)6-4-12-7-14(10-19-9-12)15-8-13-3-2-5-21(17(18)22)16(13)20-11-15/h7-11H,2-6H2,1H3,(H2,18,22)
InChIKeyJJGHWFSFEHMNDC-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.56
Rot. Bonds4

About 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305372) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305372
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCS(=O)(=O)CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H20N4O3S/c1-25(23,24)6-4-12-7-14(10-19-9-12)15-8-13-3-2-5-21(17(18)22)16(13)20-11-15/h7-11H,2-6H2,1H3,(H2,18,22)
InChIKeyJJGHWFSFEHMNDC-UHFFFAOYSA-N
XLogP1.56
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305372) is 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CS(=O)(=O)CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is JJGHWFSFEHMNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-25(23,24)6-4-12-7-14(10-19-9-12)15-8-13-3-2-5-21(17(18)22)16(13)20-11-15/h7-11H,2-6H2,1H3,(H2,18,22).
What are the key properties of 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).