2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile

C13H13N3S — CID 104822436

IUPAC2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESCc1ccc(C(C#N)NCc2cccs2)cn1
InChIInChI=1S/C13H13N3S/c1-10-4-5-11(8-15-10)13(7-14)16-9-12-3-2-6-17-12/h2-6,8,13,16H,9H2,1H3
InChIKeyFUOZZBBYJUECPK-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.81
Rot. Bonds4

About 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 104822436) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID104822436
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESCc1ccc(C(C#N)NCc2cccs2)cn1
InChIInChI=1S/C13H13N3S/c1-10-4-5-11(8-15-10)13(7-14)16-9-12-3-2-6-17-12/h2-6,8,13,16H,9H2,1H3
InChIKeyFUOZZBBYJUECPK-UHFFFAOYSA-N
XLogP2.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
CID 115350886
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 104822436) is 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile is Cc1ccc(C(C#N)NCc2cccs2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is FUOZZBBYJUECPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-10-4-5-11(8-15-10)13(7-14)16-9-12-3-2-6-17-12/h2-6,8,13,16H,9H2,1H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 243.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 104822436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).