2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile

C13H18N4 — CID 63626089

IUPAC2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
SMILESCc1ccnc(NC2CCN(CC#N)CC2)c1
InChIInChI=1S/C13H18N4/c1-11-2-6-15-13(10-11)16-12-3-7-17(8-4-12)9-5-14/h2,6,10,12H,3-4,7-9H2,1H3,(H,15,16)
InChIKeyNBMLMJXJWYCNLH-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.79
Rot. Bonds3

About 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile

2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile (PubChem CID 63626089) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
PubChem CID63626089
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
SMILESCc1ccnc(NC2CCN(CC#N)CC2)c1
InChIInChI=1S/C13H18N4/c1-11-2-6-15-13(10-11)16-12-3-7-17(8-4-12)9-5-14/h2,6,10,12H,3-4,7-9H2,1H3,(H,15,16)
InChIKeyNBMLMJXJWYCNLH-UHFFFAOYSA-N
XLogP1.79
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile (CID 63626089) is 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile is Cc1ccnc(NC2CCN(CC#N)CC2)c1.
What is the InChIKey of 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile?
The InChIKey is NBMLMJXJWYCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-2-6-15-13(10-11)16-12-3-7-17(8-4-12)9-5-14/h2,6,10,12H,3-4,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile?
2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 63626089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).