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

C20H19N5O3S — CID 86306012

IUPAC6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(-c4ccc(S(N)(=O)=O)cc4)c3)cnc21
InChIInChI=1S/C20H19N5O3S/c21-20(26)25-7-1-2-14-8-17(12-24-19(14)25)16-9-15(10-23-11-16)13-3-5-18(6-4-13)29(22,27)28/h3-6,8-12H,1-2,7H2,(H2,21,26)(H2,22,27,28)
InChIKeyKGBLYRKHJMZVTR-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.29
Rot. Bonds3

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

6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86306012) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86306012
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(-c4ccc(S(N)(=O)=O)cc4)c3)cnc21
InChIInChI=1S/C20H19N5O3S/c21-20(26)25-7-1-2-14-8-17(12-24-19(14)25)16-9-15(10-23-11-16)13-3-5-18(6-4-13)29(22,27)28/h3-6,8-12H,1-2,7H2,(H2,21,26)(H2,22,27,28)
InChIKeyKGBLYRKHJMZVTR-UHFFFAOYSA-N
XLogP2.29
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86306012) is 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3cncc(-c4ccc(S(N)(=O)=O)cc4)c3)cnc21.
What is the InChIKey of 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KGBLYRKHJMZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c21-20(26)25-7-1-2-14-8-17(12-24-19(14)25)16-9-15(10-23-11-16)13-3-5-18(6-4-13)29(22,27)28/h3-6,8-12H,1-2,7H2,(H2,21,26)(H2,22,27,28).
What are the key properties of 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86306012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).