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

C15H21N3S — CID 139622389

IUPAC1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
SMILESCCCc1cc2cccnc2n(NCC(C)C)c1=S
InChIInChI=1S/C15H21N3S/c1-4-6-13-9-12-7-5-8-16-14(12)18(15(13)19)17-10-11(2)3/h5,7-9,11,17H,4,6,10H2,1-3H3
InChIKeyVLFZAZMJKKVOBE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.92
Rot. Bonds5

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

1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione (PubChem CID 139622389) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
PubChem CID139622389
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
SMILESCCCc1cc2cccnc2n(NCC(C)C)c1=S
InChIInChI=1S/C15H21N3S/c1-4-6-13-9-12-7-5-8-16-14(12)18(15(13)19)17-10-11(2)3/h5,7-9,11,17H,4,6,10H2,1-3H3
InChIKeyVLFZAZMJKKVOBE-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.92
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-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622295
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-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
CID 139622497
1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622650
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
CID 139622487
1-(3-methylbutylamino)-1,8-naphthyridin-2-one
CID 139622712
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
2-butyl-1-methylpyrrolo[2,3-b]pyridine
CID 142666149
N-methyl-1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223887

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione?
The IUPAC name of 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione (CID 139622389) is 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione is CCCc1cc2cccnc2n(NCC(C)C)c1=S.
What is the InChIKey of 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione?
The InChIKey is VLFZAZMJKKVOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-6-13-9-12-7-5-8-16-14(12)18(15(13)19)17-10-11(2)3/h5,7-9,11,17H,4,6,10H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione?
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione has a molecular weight of 275.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).