2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C19H32IN5O — CID 109490735

IUPAC2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC(=O)Nc2cccnc2)NCC)C1.I
InChIInChI=1S/C19H31N5O.HI/c1-4-9-19(3)10-7-12-24(15-19)18(21-5-2)22-14-17(25)23-16-8-6-11-20-13-16;/h6,8,11,13H,4-5,7,9-10,12,14-15H2,1-3H3,(H,21,22)(H,23,25);1H
InChIKeyPPOWMWNBOCCLNV-UHFFFAOYSA-N
MW473.40 g/mol
LogP3.51
Rot. Bonds6

About 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 109490735) has the molecular formula C19H32IN5O and a molecular weight of 473.40 g/mol. Its IUPAC name is 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID109490735
Molecular FormulaC19H32IN5O
Molecular Weight473.40 g/mol
Exact Mass473.17
IUPAC Name2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC(=O)Nc2cccnc2)NCC)C1.I
InChIInChI=1S/C19H31N5O.HI/c1-4-9-19(3)10-7-12-24(15-19)18(21-5-2)22-14-17(25)23-16-8-6-11-20-13-16;/h6,8,11,13H,4-5,7,9-10,12,14-15H2,1-3H3,(H,21,22)(H,23,25);1H
InChIKeyPPOWMWNBOCCLNV-UHFFFAOYSA-N
XLogP3.51
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
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-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 109490632
2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 111738976
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 109490604
N-ethyl-3-methyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490099
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490437
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109490789
N-ethyl-3-methyl-N'-[2-(4-nitropyrazol-1-yl)ethyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490599
3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
CID 109490910
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109490790

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 109490735) is 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is CCCC1(C)CCCN(/C(=N/CC(=O)Nc2cccnc2)NCC)C1.I.
What is the InChIKey of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is PPOWMWNBOCCLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O.HI/c1-4-9-19(3)10-7-12-24(15-19)18(21-5-2)22-14-17(25)23-16-8-6-11-20-13-16;/h6,8,11,13H,4-5,7,9-10,12,14-15H2,1-3H3,(H,21,22)(H,23,25);1H.
What are the key properties of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 473.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 109490735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).