N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine

C20H29N5OS — CID 170592789

IUPACN',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine
SMILESCN(C)CCN.COc1nccc2c(Nc3ccccc3)ccnc12.CS
InChIInChI=1S/C15H13N3O.C4H12N2.CH4S/c1-19-15-14-12(7-9-17-15)13(8-10-16-14)18-11-5-3-2-4-6-11;1-6(2)4-3-5;1-2/h2-10H,1H3,(H,16,18);3-5H2,1-2H3;2H,1H3
InChIKeyUHGUYPZTKDKAQS-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.43
Rot. Bonds5

About N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine

N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine (PubChem CID 170592789) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine
PubChem CID170592789
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC NameN',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine
SMILESCN(C)CCN.COc1nccc2c(Nc3ccccc3)ccnc12.CS
InChIInChI=1S/C15H13N3O.C4H12N2.CH4S/c1-19-15-14-12(7-9-17-15)13(8-10-16-14)18-11-5-3-2-4-6-11;1-6(2)4-3-5;1-2/h2-10H,1H3,(H,16,18);3-5H2,1-2H3;2H,1H3
InChIKeyUHGUYPZTKDKAQS-UHFFFAOYSA-N
XLogP3.43
TPSA76.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine
CID 170414696
N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide
CID 170592709
1-ethoxy-N-phenylisoquinolin-5-amine
CID 82572609
N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine
CID 170414698
4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine
CID 170592741
1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine
CID 82572671
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
4-(dimethylamino)-1-(2-methoxy-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118671929
4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen
CID 86740554
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
2-(dimethylamino)ethyl 5-fluoro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 23331693
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine?
The IUPAC name of N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine (CID 170592789) is N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine.
What is the SMILES notation for N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine?
The canonical SMILES for N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine is CN(C)CCN.COc1nccc2c(Nc3ccccc3)ccnc12.CS.
What is the InChIKey of N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine?
The InChIKey is UHGUYPZTKDKAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.C4H12N2.CH4S/c1-19-15-14-12(7-9-17-15)13(8-10-16-14)18-11-5-3-2-4-6-11;1-6(2)4-3-5;1-2/h2-10H,1H3,(H,16,18);3-5H2,1-2H3;2H,1H3.
What are the key properties of N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine?
N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine has a molecular weight of 387.55 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine is sourced from PubChem (CID 170592789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).