2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C12H20IN5O2 — CID 111093023

IUPAC2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(=O)Nc1cccnc1.I
InChIInChI=1S/C12H19N5O2.HI/c1-9(8-19-2)16-12(13)15-7-11(18)17-10-4-3-5-14-6-10;/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H3,13,15,16);1H
InChIKeyLVAWXYKSSIVKCH-UHFFFAOYSA-N
MW393.23 g/mol
LogP0.58
Rot. Bonds6

About 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111093023) has the molecular formula C12H20IN5O2 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111093023
Molecular FormulaC12H20IN5O2
Molecular Weight393.23 g/mol
Exact Mass393.07
IUPAC Name2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(=O)Nc1cccnc1.I
InChIInChI=1S/C12H19N5O2.HI/c1-9(8-19-2)16-12(13)15-7-11(18)17-10-4-3-5-14-6-10;/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H3,13,15,16);1H
InChIKeyLVAWXYKSSIVKCH-UHFFFAOYSA-N
XLogP0.58
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092938
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092990
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110919317

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111093023) is 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is COCC(C)N/C(N)=N/CC(=O)Nc1cccnc1.I.
What is the InChIKey of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is LVAWXYKSSIVKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2.HI/c1-9(8-19-2)16-12(13)15-7-11(18)17-10-4-3-5-14-6-10;/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H3,13,15,16);1H.
What are the key properties of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 393.23 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111093023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).