2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide

C13H21N5O — CID 111032170

IUPAC2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C13H21N5O/c1-2-7-16-12(19)10-18-13(14)17-9-6-11-5-3-4-8-15-11/h3-5,8H,2,6-7,9-10H2,1H3,(H,16,19)(H3,14,17,18)
InChIKeyGRRVZKJWBWVBTM-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.05
Rot. Bonds7

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

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide (PubChem CID 111032170) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
PubChem CID111032170
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C13H21N5O/c1-2-7-16-12(19)10-18-13(14)17-9-6-11-5-3-4-8-15-11/h3-5,8H,2,6-7,9-10H2,1H3,(H,16,19)(H3,14,17,18)
InChIKeyGRRVZKJWBWVBTM-UHFFFAOYSA-N
XLogP0.05
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.05
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

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037028
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035913
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
N-[4-[[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 75532951
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110935205
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111095936

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide (CID 111032170) is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\N)NCCc1ccccn1.
What is the InChIKey of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide?
The InChIKey is GRRVZKJWBWVBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-7-16-12(19)10-18-13(14)17-9-6-11-5-3-4-8-15-11/h3-5,8H,2,6-7,9-10H2,1H3,(H,16,19)(H3,14,17,18).
What are the key properties of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide?
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111032170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).