4-(1-adamantylamino)pyridine-2-carbonitrile

C16H19N3 — CID 55156480

IUPAC4-(1-adamantylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NC23CC4CC(CC(C4)C2)C3)ccn1
InChIInChI=1S/C16H19N3/c17-10-15-6-14(1-2-18-15)19-16-7-11-3-12(8-16)5-13(4-11)9-16/h1-2,6,11-13H,3-5,7-9H2,(H,18,19)
InChIKeyLISCTKNZXVQXCS-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.33
Rot. Bonds2

About 4-(1-adamantylamino)pyridine-2-carbonitrile

4-(1-adamantylamino)pyridine-2-carbonitrile (PubChem CID 55156480) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(1-adamantylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-adamantylamino)pyridine-2-carbonitrile
PubChem CID55156480
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(1-adamantylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NC23CC4CC(CC(C4)C2)C3)ccn1
InChIInChI=1S/C16H19N3/c17-10-15-6-14(1-2-18-15)19-16-7-11-3-12(8-16)5-13(4-11)9-16/h1-2,6,11-13H,3-5,7-9H2,(H,18,19)
InChIKeyLISCTKNZXVQXCS-UHFFFAOYSA-N
XLogP3.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(1-adamantylamino)pyridine-2-carbonitrile (CID 55156480) is 4-(1-adamantylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-adamantylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1-adamantylamino)pyridine-2-carbonitrile is N#Cc1cc(NC23CC4CC(CC(C4)C2)C3)ccn1.
What is the InChIKey of 4-(1-adamantylamino)pyridine-2-carbonitrile?
The InChIKey is LISCTKNZXVQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-10-15-6-14(1-2-18-15)19-16-7-11-3-12(8-16)5-13(4-11)9-16/h1-2,6,11-13H,3-5,7-9H2,(H,18,19).
What are the key properties of 4-(1-adamantylamino)pyridine-2-carbonitrile?
4-(1-adamantylamino)pyridine-2-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 55156480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).