2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide

C13H21N5O2 — CID 111037028

IUPAC2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C13H21N5O2/c1-20-9-8-16-12(19)10-18-13(14)17-7-5-11-4-2-3-6-15-11/h2-4,6H,5,7-10H2,1H3,(H,16,19)(H3,14,17,18)
InChIKeyCDVQWNAFFWLREP-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.71
Rot. Bonds8

About 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111037028) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111037028
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C13H21N5O2/c1-20-9-8-16-12(19)10-18-13(14)17-7-5-11-4-2-3-6-15-11/h2-4,6H,5,7-10H2,1H3,(H,16,19)(H3,14,17,18)
InChIKeyCDVQWNAFFWLREP-UHFFFAOYSA-N
XLogP-0.71
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110935205
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
2-[[(2-methoxyethylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110941875
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035913
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111037028) is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)C/N=C(\N)NCCc1ccccn1.
What is the InChIKey of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CDVQWNAFFWLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-20-9-8-16-12(19)10-18-13(14)17-7-5-11-4-2-3-6-15-11/h2-4,6H,5,7-10H2,1H3,(H,16,19)(H3,14,17,18).
What are the key properties of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111037028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).