3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile

C12H12N4S — CID 103509196

IUPAC3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
SMILESCN(Cc1cccnc1)c1cc(N)c(C#N)s1
InChIInChI=1S/C12H12N4S/c1-16(8-9-3-2-4-15-7-9)12-5-10(14)11(6-13)17-12/h2-5,7H,8,14H2,1H3
InChIKeyRGECYNYUOIYODT-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile

3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile (PubChem CID 103509196) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
PubChem CID103509196
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
SMILESCN(Cc1cccnc1)c1cc(N)c(C#N)s1
InChIInChI=1S/C12H12N4S/c1-16(8-9-3-2-4-15-7-9)12-5-10(14)11(6-13)17-12/h2-5,7H,8,14H2,1H3
InChIKeyRGECYNYUOIYODT-UHFFFAOYSA-N
XLogP2.23
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103509183
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509190
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile (CID 103509196) is 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile is CN(Cc1cccnc1)c1cc(N)c(C#N)s1.
What is the InChIKey of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile?
The InChIKey is RGECYNYUOIYODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-16(8-9-3-2-4-15-7-9)12-5-10(14)11(6-13)17-12/h2-5,7H,8,14H2,1H3.
What are the key properties of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile?
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103509196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).