4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile

C14H20N4 — CID 114503453

IUPAC4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC1CN(C)CCC1NCc1ccnc(C#N)c1
InChIInChI=1S/C14H20N4/c1-11-10-18(2)6-4-14(11)17-9-12-3-5-16-13(7-12)8-15/h3,5,7,11,14,17H,4,6,9-10H2,1-2H3
InChIKeyGDPAEXARKXBRQS-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.38
Rot. Bonds3

About 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile

4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 114503453) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID114503453
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC1CN(C)CCC1NCc1ccnc(C#N)c1
InChIInChI=1S/C14H20N4/c1-11-10-18(2)6-4-14(11)17-9-12-3-5-16-13(7-12)8-15/h3,5,7,11,14,17H,4,6,9-10H2,1-2H3
InChIKeyGDPAEXARKXBRQS-UHFFFAOYSA-N
XLogP1.38
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile (CID 114503453) is 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile is CC1CN(C)CCC1NCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is GDPAEXARKXBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-10-18(2)6-4-14(11)17-9-12-3-5-16-13(7-12)8-15/h3,5,7,11,14,17H,4,6,9-10H2,1-2H3.
What are the key properties of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 114503453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).