5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile

C12H16N4 — CID 115490468

IUPAC5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CC(N)CCN1c1ccc(C#N)nc1
InChIInChI=1S/C12H16N4/c1-9-6-10(14)4-5-16(9)12-3-2-11(7-13)15-8-12/h2-3,8-10H,4-6,14H2,1H3
InChIKeyNZMLWTKEAFWPMD-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.27
Rot. Bonds1

About 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile

5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 115490468) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID115490468
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CC(N)CCN1c1ccc(C#N)nc1
InChIInChI=1S/C12H16N4/c1-9-6-10(14)4-5-16(9)12-3-2-11(7-13)15-8-12/h2-3,8-10H,4-6,14H2,1H3
InChIKeyNZMLWTKEAFWPMD-UHFFFAOYSA-N
XLogP1.27
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile (CID 115490468) is 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile is CC1CC(N)CCN1c1ccc(C#N)nc1.
What is the InChIKey of 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is NZMLWTKEAFWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-6-10(14)4-5-16(9)12-3-2-11(7-13)15-8-12/h2-3,8-10H,4-6,14H2,1H3.
What are the key properties of 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115490468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).