N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide

C13H15N3OS — CID 139622345

IUPACN-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
SMILESCCCCC(=O)Nn1c(=S)ccc2cccnc21
InChIInChI=1S/C13H15N3OS/c1-2-3-6-11(17)15-16-12(18)8-7-10-5-4-9-14-13(10)16/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyXMORHTGOWASXQJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.03
Rot. Bonds4

About N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide

N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide (PubChem CID 139622345) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
PubChem CID139622345
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
SMILESCCCCC(=O)Nn1c(=S)ccc2cccnc21
InChIInChI=1S/C13H15N3OS/c1-2-3-6-11(17)15-16-12(18)8-7-10-5-4-9-14-13(10)16/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyXMORHTGOWASXQJ-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
CID 139622774
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
ethane;N-quinolin-7-ylpentanamide
CID 156648097
1-(cyclohexylamino)-1,8-naphthyridine-2-thione
CID 139622396
N-quinolin-8-ylundecanamide
CID 3567928
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
N-hexadecanoyl-N-(3-methyl-2-sulfanylidene-1,8-naphthyridin-1-yl)hexadecanamide
CID 139622653
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514
1-(dimethylamino)-1,8-naphthyridine-2-thione
CID 139622625

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide?
The IUPAC name of N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide (CID 139622345) is N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide.
What is the SMILES notation for N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide?
The canonical SMILES for N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide is CCCCC(=O)Nn1c(=S)ccc2cccnc21.
What is the InChIKey of N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide?
The InChIKey is XMORHTGOWASXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-3-6-11(17)15-16-12(18)8-7-10-5-4-9-14-13(10)16/h4-5,7-9H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide?
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide has a molecular weight of 261.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide is sourced from PubChem (CID 139622345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).