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

C12H11N3S — CID 43009194

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1cccs1)c1ncccc1C#N
InChIInChI=1S/C12H11N3S/c1-15(9-11-5-3-7-16-11)12-10(8-13)4-2-6-14-12/h2-7H,9H2,1H3
InChIKeyPCNXDRVYSYINSN-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.65
Rot. Bonds3

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

2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 43009194) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID43009194
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1cccs1)c1ncccc1C#N
InChIInChI=1S/C12H11N3S/c1-15(9-11-5-3-7-16-11)12-10(8-13)4-2-6-14-12/h2-7H,9H2,1H3
InChIKeyPCNXDRVYSYINSN-UHFFFAOYSA-N
XLogP2.65
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 107933368
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80509194
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 43009194) is 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile is CN(Cc1cccs1)c1ncccc1C#N.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is PCNXDRVYSYINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-15(9-11-5-3-7-16-11)12-10(8-13)4-2-6-14-12/h2-7H,9H2,1H3.
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 43009194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).