4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C13H18N4 — CID 81052251

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(CN)C2)c(C#N)c(C)n1
InChIInChI=1S/C13H18N4/c1-9-5-13(12(7-15)10(2)16-9)17-4-3-11(6-14)8-17/h5,11H,3-4,6,8,14H2,1-2H3
InChIKeyHMUARFUHCAZXQD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.36
Rot. Bonds2

About 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052251) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052251
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(CN)C2)c(C#N)c(C)n1
InChIInChI=1S/C13H18N4/c1-9-5-13(12(7-15)10(2)16-9)17-4-3-11(6-14)8-17/h5,11H,3-4,6,8,14H2,1-2H3
InChIKeyHMUARFUHCAZXQD-UHFFFAOYSA-N
XLogP1.36
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81052020
2,6-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 113282062
4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81061155
2,6-dimethyl-4-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129331323
2-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylbenzonitrile
CID 62306632
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762
2-[3-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzonitrile
CID 62497841
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 91645884
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 97067599

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 81052251) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCC(CN)C2)c(C#N)c(C)n1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HMUARFUHCAZXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-5-13(12(7-15)10(2)16-9)17-4-3-11(6-14)8-17/h5,11H,3-4,6,8,14H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).