N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine

C20H27N5O — CID 22603175

IUPACN-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
SMILESCCC(CN=[N+]=[N-])Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C20H27N5O/c1-7-17(11-22-25-21)24-18-10-15(5)23-20(16(18)6)26-19-13(3)8-12(2)9-14(19)4/h8-10,17H,7,11H2,1-6H3,(H,23,24)
InChIKeyOZEQVNWOFOTTCW-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.92
Rot. Bonds7

About N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine

N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine (PubChem CID 22603175) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine.

Molecular Properties

Compound NameN-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
PubChem CID22603175
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
SMILESCCC(CN=[N+]=[N-])Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C20H27N5O/c1-7-17(11-22-25-21)24-18-10-15(5)23-20(16(18)6)26-19-13(3)8-12(2)9-14(19)4/h8-10,17H,7,11H2,1-6H3,(H,23,24)
InChIKeyOZEQVNWOFOTTCW-UHFFFAOYSA-N
XLogP5.92
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine 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 N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine?
The IUPAC name of N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine (CID 22603175) is N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine.
What is the SMILES notation for N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine?
The canonical SMILES for N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine is CCC(CN=[N+]=[N-])Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C.
What is the InChIKey of N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine?
The InChIKey is OZEQVNWOFOTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-7-17(11-22-25-21)24-18-10-15(5)23-20(16(18)6)26-19-13(3)8-12(2)9-14(19)4/h8-10,17H,7,11H2,1-6H3,(H,23,24).
What are the key properties of N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine?
N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine is sourced from PubChem (CID 22603175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).