6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile

C15H15N3S — CID 82092939

IUPAC6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccs2)c(C#N)c(N2CCCC2)n1
InChIInChI=1S/C15H15N3S/c1-11-9-12(14-5-4-8-19-14)13(10-16)15(17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXCAVAXQZDMHRTJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.59
Rot. Bonds2

About 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile

6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 82092939) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID82092939
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccs2)c(C#N)c(N2CCCC2)n1
InChIInChI=1S/C15H15N3S/c1-11-9-12(14-5-4-8-19-14)13(10-16)15(17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXCAVAXQZDMHRTJ-UHFFFAOYSA-N
XLogP3.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232
2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396446
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile
CID 11449042
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 40736054
4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
CID 169396379

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 82092939) is 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile is Cc1cc(-c2cccs2)c(C#N)c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is XCAVAXQZDMHRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-9-12(14-5-4-8-19-14)13(10-16)15(17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile?
6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).