2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide

C13H19N5O — CID 110981371

IUPAC2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESC=CCN/C(=N/CC(=O)Nc1cccnc1)NCC
InChIInChI=1S/C13H19N5O/c1-3-7-16-13(15-4-2)17-10-12(19)18-11-6-5-8-14-9-11/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,18,19)(H2,15,16,17)
InChIKeyPUCMSJVDHQNARV-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.76
Rot. Bonds6

About 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide

2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide (PubChem CID 110981371) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
PubChem CID110981371
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESC=CCN/C(=N/CC(=O)Nc1cccnc1)NCC
InChIInChI=1S/C13H19N5O/c1-3-7-16-13(15-4-2)17-10-12(19)18-11-6-5-8-14-9-11/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,18,19)(H2,15,16,17)
InChIKeyPUCMSJVDHQNARV-UHFFFAOYSA-N
XLogP0.76
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.76
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110981151
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111648744
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111234473
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475
1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569771
2-[[ethylamino-[(3-methyl-1-benzofuran-2-yl)methylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111602675
2-[[ethylamino-[3-(4-fluorophenyl)sulfanylpropylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111310793
2-[[ethylamino-[2-(4-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111864634

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide (CID 110981371) is 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide is C=CCN/C(=N/CC(=O)Nc1cccnc1)NCC.
What is the InChIKey of 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The InChIKey is PUCMSJVDHQNARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-7-16-13(15-4-2)17-10-12(19)18-11-6-5-8-14-9-11/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,18,19)(H2,15,16,17).
What are the key properties of 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide has a molecular weight of 261.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 110981371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).