N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide

C31H34N4 — CID 102205288

IUPACN-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide
SMILESC/C(=N\c1c(C)cccc1C)N(c1cccc(Nc2c(C)cccc2C)n1)c1c(C)cccc1C
InChIInChI=1S/C31H34N4/c1-20-12-8-13-21(2)29(20)32-26(7)35(31-24(5)16-10-17-25(31)6)28-19-11-18-27(33-28)34-30-22(3)14-9-15-23(30)4/h8-19H,1-7H3,(H,33,34)/b32-26+
InChIKeyQHUMNCROEFOGFK-HMZBKAONSA-N
MW462.64 g/mol
LogP8.56
Rot. Bonds5

About N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide

N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide (PubChem CID 102205288) has the molecular formula C31H34N4 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide
PubChem CID102205288
Molecular FormulaC31H34N4
Molecular Weight462.64 g/mol
Exact Mass462.28
IUPAC NameN-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide
SMILESC/C(=N\c1c(C)cccc1C)N(c1cccc(Nc2c(C)cccc2C)n1)c1c(C)cccc1C
InChIInChI=1S/C31H34N4/c1-20-12-8-13-21(2)29(20)32-26(7)35(31-24(5)16-10-17-25(31)6)28-19-11-18-27(33-28)34-30-22(3)14-9-15-23(30)4/h8-19H,1-7H3,(H,33,34)/b32-26+
InChIKeyQHUMNCROEFOGFK-HMZBKAONSA-N
XLogP8.56
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide (CID 102205288) is N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide is C/C(=N\c1c(C)cccc1C)N(c1cccc(Nc2c(C)cccc2C)n1)c1c(C)cccc1C.
What is the InChIKey of N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide?
The InChIKey is QHUMNCROEFOGFK-HMZBKAONSA-N. The full InChI is InChI=1S/C31H34N4/c1-20-12-8-13-21(2)29(20)32-26(7)35(31-24(5)16-10-17-25(31)6)28-19-11-18-27(33-28)34-30-22(3)14-9-15-23(30)4/h8-19H,1-7H3,(H,33,34)/b32-26+.
What are the key properties of N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide?
N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide has a molecular weight of 462.64 g/mol, XLogP of 8.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)-2-pyridinyl]-N,N'-bis(2,6-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 102205288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).