5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile

C12H16N4 — CID 114697217

IUPAC5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCC1(Nc2ccc(C#N)nc2)CCNCC1
InChIInChI=1S/C12H16N4/c1-12(4-6-14-7-5-12)16-11-3-2-10(8-13)15-9-11/h2-3,9,14,16H,4-7H2,1H3
InChIKeyLLJKTFOHQRARSL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.51
Rot. Bonds2

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

5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 114697217) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
PubChem CID114697217
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCC1(Nc2ccc(C#N)nc2)CCNCC1
InChIInChI=1S/C12H16N4/c1-12(4-6-14-7-5-12)16-11-3-2-10(8-13)15-9-11/h2-3,9,14,16H,4-7H2,1H3
InChIKeyLLJKTFOHQRARSL-UHFFFAOYSA-N
XLogP1.51
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
CID 114697126
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile
CID 115490464
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5,6-dimethyl-N-(4-methylpiperidin-4-yl)pyrazin-2-amine
CID 114697083
2-bromo-4-[(3-methylpyrrolidin-3-yl)amino]benzonitrile
CID 107425284

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile (CID 114697217) is 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile is CC1(Nc2ccc(C#N)nc2)CCNCC1.
What is the InChIKey of 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is LLJKTFOHQRARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(4-6-14-7-5-12)16-11-3-2-10(8-13)15-9-11/h2-3,9,14,16H,4-7H2,1H3.
What are the key properties of 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 114697217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).