4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile

C18H22N4S — CID 133396705

IUPAC4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(C)N2CCc3sccc3C2)c(C#N)c(C)n1
InChIInChI=1S/C18H22N4S/c1-12-8-17(16(9-19)14(3)21-12)20-10-13(2)22-6-4-18-15(11-22)5-7-23-18/h5,7-8,13H,4,6,10-11H2,1-3H3,(H,20,21)
InChIKeyZSCICFVUPDAYJD-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.49
Rot. Bonds4

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

4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396705) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396705
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(C)N2CCc3sccc3C2)c(C#N)c(C)n1
InChIInChI=1S/C18H22N4S/c1-12-8-17(16(9-19)14(3)21-12)20-10-13(2)22-6-4-18-15(11-22)5-7-23-18/h5,7-8,13H,4,6,10-11H2,1-3H3,(H,20,21)
InChIKeyZSCICFVUPDAYJD-UHFFFAOYSA-N
XLogP3.49
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-6-nitroquinoline-4-carbonitrile
CID 133310486
methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
CID 133418535
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]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970102
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396909
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
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
CID 83015551
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396705) is 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCC(C)N2CCc3sccc3C2)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZSCICFVUPDAYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-12-8-17(16(9-19)14(3)21-12)20-10-13(2)22-6-4-18-15(11-22)5-7-23-18/h5,7-8,13H,4,6,10-11H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 326.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).