3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile

C14H20N4 — CID 82817121

IUPAC3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCCCCC2)c1N
InChIInChI=1S/C14H20N4/c15-10-11-8-9-17-14(13(11)16)18-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,16H2,(H,17,18)
InChIKeyDZRAPBTZKIPDEK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds2

About 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile

3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile (PubChem CID 82817121) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
PubChem CID82817121
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCCCCC2)c1N
InChIInChI=1S/C14H20N4/c15-10-11-8-9-17-14(13(11)16)18-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,16H2,(H,17,18)
InChIKeyDZRAPBTZKIPDEK-UHFFFAOYSA-N
XLogP3.06
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile (CID 82817121) is 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCCCCCC2)c1N.
What is the InChIKey of 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile?
The InChIKey is DZRAPBTZKIPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-10-11-8-9-17-14(13(11)16)18-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,16H2,(H,17,18).
What are the key properties of 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile?
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).