4-(octan-2-ylamino)pyridine-2-carbonitrile

C14H21N3 — CID 62924662

IUPAC4-(octan-2-ylamino)pyridine-2-carbonitrile
SMILESCCCCCCC(C)Nc1ccnc(C#N)c1
InChIInChI=1S/C14H21N3/c1-3-4-5-6-7-12(2)17-13-8-9-16-14(10-13)11-15/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyAHSLLZXATVHEBA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.72
Rot. Bonds7

About 4-(octan-2-ylamino)pyridine-2-carbonitrile

4-(octan-2-ylamino)pyridine-2-carbonitrile (PubChem CID 62924662) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(octan-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(octan-2-ylamino)pyridine-2-carbonitrile
PubChem CID62924662
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(octan-2-ylamino)pyridine-2-carbonitrile
SMILESCCCCCCC(C)Nc1ccnc(C#N)c1
InChIInChI=1S/C14H21N3/c1-3-4-5-6-7-12(2)17-13-8-9-16-14(10-13)11-15/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyAHSLLZXATVHEBA-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(octan-2-ylamino)pyridine-2-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

5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
N-heptan-2-ylquinoxalin-6-amine
CID 54863501
2-[4-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43129975
2-[4-(octan-2-ylamino)phenoxy]acetonitrile
CID 43129974
4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
CID 106230805
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
2-nitro-5-(octan-2-ylamino)benzonitrile
CID 115500236

Frequently Asked Questions

What is the IUPAC name of 4-(octan-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(octan-2-ylamino)pyridine-2-carbonitrile (CID 62924662) is 4-(octan-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(octan-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(octan-2-ylamino)pyridine-2-carbonitrile is CCCCCCC(C)Nc1ccnc(C#N)c1.
What is the InChIKey of 4-(octan-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is AHSLLZXATVHEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-4-5-6-7-12(2)17-13-8-9-16-14(10-13)11-15/h8-10,12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-(octan-2-ylamino)pyridine-2-carbonitrile?
4-(octan-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octan-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).