3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile

C13H14N4S — CID 82817692

IUPAC3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCCN(Cc1cccs1)c1nccc(C#N)c1N
InChIInChI=1S/C13H14N4S/c1-2-17(9-11-4-3-7-18-11)13-12(15)10(8-14)5-6-16-13/h3-7H,2,9,15H2,1H3
InChIKeyCMOWKQRXQOPOJD-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.62
Rot. Bonds4

About 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile

3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 82817692) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID82817692
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCCN(Cc1cccs1)c1nccc(C#N)c1N
InChIInChI=1S/C13H14N4S/c1-2-17(9-11-4-3-7-18-11)13-12(15)10(8-14)5-6-16-13/h3-7H,2,9,15H2,1H3
InChIKeyCMOWKQRXQOPOJD-UHFFFAOYSA-N
XLogP2.62
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467817
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970108
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
CID 81281827
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
8-N-ethyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80798910
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile (CID 82817692) is 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile is CCN(Cc1cccs1)c1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is CMOWKQRXQOPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-17(9-11-4-3-7-18-11)13-12(15)10(8-14)5-6-16-13/h3-7H,2,9,15H2,1H3.
What are the key properties of 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile?
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).