2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile

C16H20ClN3 — CID 83077251

IUPAC2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile
SMILESCC12CCC(C1)C(C)(C)C2Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C16H20ClN3/c1-15(2)11-4-5-16(3,8-11)14(15)20-13-7-10(9-18)6-12(17)19-13/h6-7,11,14H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyMUFHHLQHEKQYOJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.23
Rot. Bonds2

About 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile

2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile (PubChem CID 83077251) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile
PubChem CID83077251
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile
SMILESCC12CCC(C1)C(C)(C)C2Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C16H20ClN3/c1-15(2)11-4-5-16(3,8-11)14(15)20-13-7-10(9-18)6-12(17)19-13/h6-7,11,14H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyMUFHHLQHEKQYOJ-UHFFFAOYSA-N
XLogP4.23
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile (CID 83077251) is 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile is CC12CCC(C1)C(C)(C)C2Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile?
The InChIKey is MUFHHLQHEKQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-15(2)11-4-5-16(3,8-11)14(15)20-13-7-10(9-18)6-12(17)19-13/h6-7,11,14H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile has a molecular weight of 289.81 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).