6-methyl-2-(octylamino)pyridine-3-carbonitrile

C15H23N3 — CID 113337282

IUPAC6-methyl-2-(octylamino)pyridine-3-carbonitrile
SMILESCCCCCCCCNc1nc(C)ccc1C#N
InChIInChI=1S/C15H23N3/c1-3-4-5-6-7-8-11-17-15-14(12-16)10-9-13(2)18-15/h9-10H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyCAQDQZKNBXGWKQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.03
Rot. Bonds8

About 6-methyl-2-(octylamino)pyridine-3-carbonitrile

6-methyl-2-(octylamino)pyridine-3-carbonitrile (PubChem CID 113337282) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-methyl-2-(octylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(octylamino)pyridine-3-carbonitrile
PubChem CID113337282
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6-methyl-2-(octylamino)pyridine-3-carbonitrile
SMILESCCCCCCCCNc1nc(C)ccc1C#N
InChIInChI=1S/C15H23N3/c1-3-4-5-6-7-8-11-17-15-14(12-16)10-9-13(2)18-15/h9-10H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyCAQDQZKNBXGWKQ-UHFFFAOYSA-N
XLogP4.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-2-(octylamino)pyridine-3-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

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-Methyl-6-propylpyridin-2-amine
CID 9855524
6-Isobutyl-4-methylpyridin-2-amine
CID 10197851
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
4-Methyl-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 42625621
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(octylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(octylamino)pyridine-3-carbonitrile (CID 113337282) is 6-methyl-2-(octylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(octylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(octylamino)pyridine-3-carbonitrile is CCCCCCCCNc1nc(C)ccc1C#N.
What is the InChIKey of 6-methyl-2-(octylamino)pyridine-3-carbonitrile?
The InChIKey is CAQDQZKNBXGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-4-5-6-7-8-11-17-15-14(12-16)10-9-13(2)18-15/h9-10H,3-8,11H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-2-(octylamino)pyridine-3-carbonitrile?
6-methyl-2-(octylamino)pyridine-3-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(octylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 113337282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).