5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile

C12H11N3S — CID 115487781

IUPAC5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCc1cscc1CNc1ccc(C#N)nc1
InChIInChI=1S/C12H11N3S/c1-9-7-16-8-10(9)5-14-12-3-2-11(4-13)15-6-12/h2-3,6-8,14H,5H2,1H3
InChIKeyHPKQNSOVSOFVQL-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.94
Rot. Bonds3

About 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile

5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 115487781) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID115487781
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCc1cscc1CNc1ccc(C#N)nc1
InChIInChI=1S/C12H11N3S/c1-9-7-16-8-10(9)5-14-12-3-2-11(4-13)15-6-12/h2-3,6-8,14H,5H2,1H3
InChIKeyHPKQNSOVSOFVQL-UHFFFAOYSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133347394
5-[(2-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839122
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839394
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile (CID 115487781) is 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile is Cc1cscc1CNc1ccc(C#N)nc1.
What is the InChIKey of 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is HPKQNSOVSOFVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-9-7-16-8-10(9)5-14-12-3-2-11(4-13)15-6-12/h2-3,6-8,14H,5H2,1H3.
What are the key properties of 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile?
5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).