2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C13H22IN5O — CID 111127008

IUPAC2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NC(C)C.I
InChIInChI=1S/C13H21N5O.HI/c1-4-15-13(17-10(2)3)16-9-12(19)18-11-6-5-7-14-8-11;/h5-8,10H,4,9H2,1-3H3,(H,18,19)(H2,15,16,17);1H
InChIKeyAYDOPLJFRPAUMQ-UHFFFAOYSA-N
MW391.26 g/mol
LogP1.60
Rot. Bonds5

About 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111127008) has the molecular formula C13H22IN5O and a molecular weight of 391.26 g/mol. Its IUPAC name is 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111127008
Molecular FormulaC13H22IN5O
Molecular Weight391.26 g/mol
Exact Mass391.09
IUPAC Name2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NC(C)C.I
InChIInChI=1S/C13H21N5O.HI/c1-4-15-13(17-10(2)3)16-9-12(19)18-11-6-5-7-14-8-11;/h5-8,10H,4,9H2,1-3H3,(H,18,19)(H2,15,16,17);1H
InChIKeyAYDOPLJFRPAUMQ-UHFFFAOYSA-N
XLogP1.60
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 51.60
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111234473
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111648744
1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569771
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111303700
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475
2-[[[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 109495376
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093023

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111127008) is 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccnc1)NC(C)C.I.
What is the InChIKey of 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is AYDOPLJFRPAUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.HI/c1-4-15-13(17-10(2)3)16-9-12(19)18-11-6-5-7-14-8-11;/h5-8,10H,4,9H2,1-3H3,(H,18,19)(H2,15,16,17);1H.
What are the key properties of 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 391.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111127008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).