methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate

C18H23N3O2S — CID 133418535

IUPACmethyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(C)N2CCc3sccc3C2)nc1C
InChIInChI=1S/C18H23N3O2S/c1-12(21-8-6-16-14(11-21)7-9-24-16)10-19-17-5-4-15(13(2)20-17)18(22)23-3/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyZQQXTCUQPUWLPK-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.10
Rot. Bonds5

About methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate

methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate (PubChem CID 133418535) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
PubChem CID133418535
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Namemethyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(C)N2CCc3sccc3C2)nc1C
InChIInChI=1S/C18H23N3O2S/c1-12(21-8-6-16-14(11-21)7-9-24-16)10-19-17-5-4-15(13(2)20-17)18(22)23-3/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyZQQXTCUQPUWLPK-UHFFFAOYSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970102
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396705
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133310478
ethyl 4-[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164307
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 46400419
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-6-nitroquinoline-4-carbonitrile
CID 133310486
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 75493563
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate (CID 133418535) is methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NCC(C)N2CCc3sccc3C2)nc1C.
What is the InChIKey of methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate?
The InChIKey is ZQQXTCUQPUWLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(21-8-6-16-14(11-21)7-9-24-16)10-19-17-5-4-15(13(2)20-17)18(22)23-3/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,19,20).
What are the key properties of methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate?
methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate has a molecular weight of 345.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133418535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).