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

C21H21N5O3S — CID 86305320

IUPAC6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCNS(=O)(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H21N5O3S/c1-23-30(28,29)19-7-3-2-6-18(19)17-10-15(11-24-12-17)16-9-14-5-4-8-26(21(22)27)20(14)25-13-16/h2-3,6-7,9-13,23H,4-5,8H2,1H3,(H2,22,27)
InChIKeyOJBXGKWICGVWKO-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.55
Rot. Bonds4

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

6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305320) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305320
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCNS(=O)(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H21N5O3S/c1-23-30(28,29)19-7-3-2-6-18(19)17-10-15(11-24-12-17)16-9-14-5-4-8-26(21(22)27)20(14)25-13-16/h2-3,6-7,9-13,23H,4-5,8H2,1H3,(H2,22,27)
InChIKeyOJBXGKWICGVWKO-UHFFFAOYSA-N
XLogP2.55
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305320) is 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CNS(=O)(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is OJBXGKWICGVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-23-30(28,29)19-7-3-2-6-18(19)17-10-15(11-24-12-17)16-9-14-5-4-8-26(21(22)27)20(14)25-13-16/h2-3,6-7,9-13,23H,4-5,8H2,1H3,(H2,22,27).
What are the key properties of 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(methylsulfamoyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).