5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile

C13H14N4S — CID 103467817

IUPAC5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCCN(Cc1cccs1)c1ncc(C#N)cc1N
InChIInChI=1S/C13H14N4S/c1-2-17(9-11-4-3-5-18-11)13-12(15)6-10(7-14)8-16-13/h3-6,8H,2,9,15H2,1H3
InChIKeyBRHKBWCCUDFLEZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.62
Rot. Bonds4

About 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile

5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 103467817) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID103467817
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCCN(Cc1cccs1)c1ncc(C#N)cc1N
InChIInChI=1S/C13H14N4S/c1-2-17(9-11-4-3-5-18-11)13-12(15)6-10(7-14)8-16-13/h3-6,8H,2,9,15H2,1H3
InChIKeyBRHKBWCCUDFLEZ-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

4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 82797609
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970108
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
CID 81281827

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 103467817) is 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile is CCN(Cc1cccs1)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is BRHKBWCCUDFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-17(9-11-4-3-5-18-11)13-12(15)6-10(7-14)8-16-13/h3-6,8H,2,9,15H2,1H3.
What are the key properties of 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-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 5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103467817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).