6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C38H42N8O6S2 — CID 158348972

IUPAC6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(C4=CCS(=O)(=O)CC4)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(C4CCS(=O)(=O)CC4)c3)cnc21
InChIInChI=1S/C19H22N4O3S.C19H20N4O3S/c2*20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-27(25,26)7-4-13/h8-13H,1-7H2,(H2,20,24);3,8-12H,1-2,4-7H2,(H2,20,24)
InChIKeyGSBSYKOEVMBGDO-UHFFFAOYSA-N
MW770.94 g/mol
LogP4.44
Rot. Bonds4

About 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158348972) has the molecular formula C38H42N8O6S2 and a molecular weight of 770.94 g/mol. Its IUPAC name is 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID158348972
Molecular FormulaC38H42N8O6S2
Molecular Weight770.94 g/mol
Exact Mass770.27
IUPAC Name6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(C4=CCS(=O)(=O)CC4)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(C4CCS(=O)(=O)CC4)c3)cnc21
InChIInChI=1S/C19H22N4O3S.C19H20N4O3S/c2*20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-27(25,26)7-4-13/h8-13H,1-7H2,(H2,20,24);3,8-12H,1-2,4-7H2,(H2,20,24)
InChIKeyGSBSYKOEVMBGDO-UHFFFAOYSA-N
XLogP4.44
TPSA212.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500770.94
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

6-[5-(2-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305270
6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305372
6-(5-methylsulfonyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305617
6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305807
6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 86305856
6-[5-[(1,1-dioxothiazinan-2-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667147
6-[5-[(1R)-1-[ethylsulfonyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667162
6-[5-(methylsulfonylmethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667214
6-[5-[(1S)-1-[ethylsulfonyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667256
6-[5-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda6-thiopyran-4-yl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117667332
6-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667364
6-[5-(3-methylsulfonylpropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667426

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158348972) is 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3cncc(C4=CCS(=O)(=O)CC4)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(C4CCS(=O)(=O)CC4)c3)cnc21.
What is the InChIKey of 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is GSBSYKOEVMBGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S.C19H20N4O3S/c2*20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-27(25,26)7-4-13/h8-13H,1-7H2,(H2,20,24);3,8-12H,1-2,4-7H2,(H2,20,24).
What are the key properties of 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 770.94 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1,1-dioxothian-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158348972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).