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

C20H18N4OS — CID 134592107

IUPAC6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(-c4cccc(S)c4)c3)cnc21
InChIInChI=1S/C20H18N4OS/c21-20(25)24-6-2-4-14-7-17(12-23-19(14)24)16-8-15(10-22-11-16)13-3-1-5-18(26)9-13/h1,3,5,7-12,26H,2,4,6H2,(H2,21,25)
InChIKeyQVBUPFHBWPYRRR-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.93
Rot. Bonds2

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

6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134592107) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID134592107
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(-c4cccc(S)c4)c3)cnc21
InChIInChI=1S/C20H18N4OS/c21-20(25)24-6-2-4-14-7-17(12-23-19(14)24)16-8-15(10-22-11-16)13-3-1-5-18(26)9-13/h1,3,5,7-12,26H,2,4,6H2,(H2,21,25)
InChIKeyQVBUPFHBWPYRRR-UHFFFAOYSA-N
XLogP3.93
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(5-pyrimidin-5-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305266
5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid
CID 86305668
6-(5-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305615
6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123837949
6-[5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305318
6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86306011
6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305422
6-[5-[(2R)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 147740948
6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 131733987
6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305759
6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123552683
6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 121379080

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134592107) is 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3cncc(-c4cccc(S)c4)c3)cnc21.
What is the InChIKey of 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QVBUPFHBWPYRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-20(25)24-6-2-4-14-7-17(12-23-19(14)24)16-8-15(10-22-11-16)13-3-1-5-18(26)9-13/h1,3,5,7-12,26H,2,4,6H2,(H2,21,25).
What are the key properties of 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134592107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).