4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

C14H20N4 — CID 81052020

IUPAC4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C)C(N)C2)c(C#N)c(C)n1
InChIInChI=1S/C14H20N4/c1-9-4-5-18(8-13(9)16)14-6-10(2)17-11(3)12(14)7-15/h6,9,13H,4-5,8,16H2,1-3H3
InChIKeyMSCVXCJBYHQPOS-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.74
Rot. Bonds1

About 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052020) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052020
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C)C(N)C2)c(C#N)c(C)n1
InChIInChI=1S/C14H20N4/c1-9-4-5-18(8-13(9)16)14-6-10(2)17-11(3)12(14)7-15/h6,9,13H,4-5,8,16H2,1-3H3
InChIKeyMSCVXCJBYHQPOS-UHFFFAOYSA-N
XLogP1.74
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052251
2,6-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 113282062
4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81061155
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
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
2,6-dimethyl-4-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129331323
2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile
CID 81042170

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81052020) is 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCC(C)C(N)C2)c(C#N)c(C)n1.
What is the InChIKey of 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is MSCVXCJBYHQPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-4-5-18(8-13(9)16)14-6-10(2)17-11(3)12(14)7-15/h6,9,13H,4-5,8,16H2,1-3H3.
What are the key properties of 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).