(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone

C14H19N3O3S — CID 112530448

IUPAC(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCc2c(cncc2C(=O)N2CCCC2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-7-4-12-11(10-17)8-15-9-13(12)14(18)16-5-2-3-6-16/h8-9H,2-7,10H2,1H3
InChIKeyNKAABNVMLURGML-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.64
Rot. Bonds2

About (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone

(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 112530448) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID112530448
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCc2c(cncc2C(=O)N2CCCC2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-7-4-12-11(10-17)8-15-9-13(12)14(18)16-5-2-3-6-16/h8-9H,2-7,10H2,1H3
InChIKeyNKAABNVMLURGML-UHFFFAOYSA-N
XLogP0.64
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone (CID 112530448) is (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone is CS(=O)(=O)N1CCc2c(cncc2C(=O)N2CCCC2)C1.
What is the InChIKey of (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NKAABNVMLURGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)17-7-4-12-11(10-17)8-15-9-13(12)14(18)16-5-2-3-6-16/h8-9H,2-7,10H2,1H3.
What are the key properties of (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone?
(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 309.39 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 112530448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).