5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile

C14H15N3O2S — CID 115748695

IUPAC5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
SMILESCOCCOc1ccc(NCc2ccc(C#N)s2)cn1
InChIInChI=1S/C14H15N3O2S/c1-18-6-7-19-14-5-2-11(9-17-14)16-10-13-4-3-12(8-15)20-13/h2-5,9,16H,6-7,10H2,1H3
InChIKeyMIKXMNNNCHMOHW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.65
Rot. Bonds7

About 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile

5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile (PubChem CID 115748695) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
PubChem CID115748695
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
SMILESCOCCOc1ccc(NCc2ccc(C#N)s2)cn1
InChIInChI=1S/C14H15N3O2S/c1-18-6-7-19-14-5-2-11(9-17-14)16-10-13-4-3-12(8-15)20-13/h2-5,9,16H,6-7,10H2,1H3
InChIKeyMIKXMNNNCHMOHW-UHFFFAOYSA-N
XLogP2.65
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
CID 115748697
5-[[(6-chloro-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 115975883
5-[(4-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250062
5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 104624407
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
6-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43688430
5-[(3-propoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675673
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
5-[(3-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743071
N-[(2-ethylpyrazol-3-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 115762828
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile (CID 115748695) is 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile is COCCOc1ccc(NCc2ccc(C#N)s2)cn1.
What is the InChIKey of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
The InChIKey is MIKXMNNNCHMOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-18-6-7-19-14-5-2-11(9-17-14)16-10-13-4-3-12(8-15)20-13/h2-5,9,16H,6-7,10H2,1H3.
What are the key properties of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile has a molecular weight of 289.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115748695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).