3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

C20H27N5O — CID 111074213

IUPAC3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCC(=O)Nc1cccc(C)n1
InChIInChI=1S/C20H27N5O/c1-4-15-9-7-10-16(5-2)19(15)25-20(21)22-13-12-18(26)24-17-11-6-8-14(3)23-17/h6-11H,4-5,12-13H2,1-3H3,(H3,21,22,25)(H,23,24,26)
InChIKeyQICYBORYRYUFLQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.27
Rot. Bonds7

About 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 111074213) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID111074213
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCC(=O)Nc1cccc(C)n1
InChIInChI=1S/C20H27N5O/c1-4-15-9-7-10-16(5-2)19(15)25-20(21)22-13-12-18(26)24-17-11-6-8-14(3)23-17/h6-11H,4-5,12-13H2,1-3H3,(H3,21,22,25)(H,23,24,26)
InChIKeyQICYBORYRYUFLQ-UHFFFAOYSA-N
XLogP3.27
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
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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Related Compounds

3-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111074256
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074267
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
1-(2,6-diethylphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074237
3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110989418
1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine
CID 122098664
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034562

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 111074213) is 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is CCc1cccc(CC)c1N/C(N)=N/CCC(=O)Nc1cccc(C)n1.
What is the InChIKey of 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is QICYBORYRYUFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-15-9-7-10-16(5-2)19(15)25-20(21)22-13-12-18(26)24-17-11-6-8-14(3)23-17/h6-11H,4-5,12-13H2,1-3H3,(H3,21,22,25)(H,23,24,26).
What are the key properties of 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 111074213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).