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

C15H16N4O3S — CID 86305617

IUPAC6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCS(=O)(=O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C15H16N4O3S/c1-23(21,22)13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11/h5-9H,2-4H2,1H3,(H2,16,20)
InChIKeyUUEHTLJNOOBLKA-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.38
Rot. Bonds2

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

6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305617) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305617
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCS(=O)(=O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C15H16N4O3S/c1-23(21,22)13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11/h5-9H,2-4H2,1H3,(H2,16,20)
InChIKeyUUEHTLJNOOBLKA-UHFFFAOYSA-N
XLogP1.38
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305617) is 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CS(=O)(=O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is UUEHTLJNOOBLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-23(21,22)13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11/h5-9H,2-4H2,1H3,(H2,16,20).
What are the key properties of 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).