4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile

C12H15N3S — CID 107268914

IUPAC4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
SMILESCSC1(CNc2nccc(C)c2C#N)CC1
InChIInChI=1S/C12H15N3S/c1-9-3-6-14-11(10(9)7-13)15-8-12(16-2)4-5-12/h3,6H,4-5,8H2,1-2H3,(H,14,15)
InChIKeyFYPCEOXTBMVNEA-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.57
Rot. Bonds4

About 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile

4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile (PubChem CID 107268914) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
PubChem CID107268914
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
SMILESCSC1(CNc2nccc(C)c2C#N)CC1
InChIInChI=1S/C12H15N3S/c1-9-3-6-14-11(10(9)7-13)15-8-12(16-2)4-5-12/h3,6H,4-5,8H2,1-2H3,(H,14,15)
InChIKeyFYPCEOXTBMVNEA-UHFFFAOYSA-N
XLogP2.57
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046
3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117198
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
CID 113283263
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile (CID 107268914) is 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile is CSC1(CNc2nccc(C)c2C#N)CC1.
What is the InChIKey of 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is FYPCEOXTBMVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-6-14-11(10(9)7-13)15-8-12(16-2)4-5-12/h3,6H,4-5,8H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 107268914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).