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

C21H20N4O3S — CID 86305270

IUPAC6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H20N4O3S/c1-29(27,28)19-7-3-2-6-18(19)17-10-15(11-23-12-17)16-9-14-5-4-8-25(21(22)26)20(14)24-13-16/h2-3,6-7,9-13H,4-5,8H2,1H3,(H2,22,26)
InChIKeyROEDTOIXOXJFCN-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.05
Rot. Bonds3

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

6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305270) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305270
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H20N4O3S/c1-29(27,28)19-7-3-2-6-18(19)17-10-15(11-23-12-17)16-9-14-5-4-8-25(21(22)26)20(14)24-13-16/h2-3,6-7,9-13H,4-5,8H2,1H3,(H2,22,26)
InChIKeyROEDTOIXOXJFCN-UHFFFAOYSA-N
XLogP3.05
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305270) is 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CS(=O)(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ROEDTOIXOXJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-29(27,28)19-7-3-2-6-18(19)17-10-15(11-23-12-17)16-9-14-5-4-8-25(21(22)26)20(14)24-13-16/h2-3,6-7,9-13H,4-5,8H2,1H3,(H2,22,26).
What are the key properties of 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).