1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione

C18H19N3S — CID 139622295

IUPAC1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
SMILESCCCc1cc2cccnc2n(NCc2ccccc2)c1=S
InChIInChI=1S/C18H19N3S/c1-2-7-16-12-15-10-6-11-19-17(15)21(18(16)22)20-13-14-8-4-3-5-9-14/h3-6,8-12,20H,2,7,13H2,1H3
InChIKeyLKPUJFOTUCATIP-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.46
Rot. Bonds5

About 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione

1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione (PubChem CID 139622295) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
PubChem CID139622295
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
SMILESCCCc1cc2cccnc2n(NCc2ccccc2)c1=S
InChIInChI=1S/C18H19N3S/c1-2-7-16-12-15-10-6-11-19-17(15)21(18(16)22)20-13-14-8-4-3-5-9-14/h3-6,8-12,20H,2,7,13H2,1H3
InChIKeyLKPUJFOTUCATIP-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.46
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-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
CID 139622487
2-butyl-1-methylpyrrolo[2,3-b]pyridine
CID 142666149
N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 129214459
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
2-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62700857
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
4-[(2-ethoxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 4725888

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione?
The IUPAC name of 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione (CID 139622295) is 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione is CCCc1cc2cccnc2n(NCc2ccccc2)c1=S.
What is the InChIKey of 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione?
The InChIKey is LKPUJFOTUCATIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-2-7-16-12-15-10-6-11-19-17(15)21(18(16)22)20-13-14-8-4-3-5-9-14/h3-6,8-12,20H,2,7,13H2,1H3.
What are the key properties of 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione?
1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione has a molecular weight of 309.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).