3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide

C19H32IN5O — CID 109452010

IUPAC3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H31N5O.HI/c1-7-20-17(24-13-18(3,4)19(24,5)6)21-12-11-16(25)23-15-10-8-9-14(2)22-15;/h8-10H,7,11-13H2,1-6H3,(H,20,21)(H,22,23,25);1H
InChIKeyIGFYUXYZPHCDMO-UHFFFAOYSA-N
MW473.40 g/mol
LogP3.42
Rot. Bonds5

About 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide

3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide (PubChem CID 109452010) has the molecular formula C19H32IN5O and a molecular weight of 473.40 g/mol. Its IUPAC name is 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
PubChem CID109452010
Molecular FormulaC19H32IN5O
Molecular Weight473.40 g/mol
Exact Mass473.17
IUPAC Name3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H31N5O.HI/c1-7-20-17(24-13-18(3,4)19(24,5)6)21-12-11-16(25)23-15-10-8-9-14(2)22-15;/h8-10H,7,11-13H2,1-6H3,(H,20,21)(H,22,23,25);1H
InChIKeyIGFYUXYZPHCDMO-UHFFFAOYSA-N
XLogP3.42
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 53.42
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

3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 109453216
3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110989418
3-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111726816
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109453473
3-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111302619
3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111256966
3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111019839
3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110942643
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111190794
3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111387204
3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110942644
3-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111352243

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide (CID 109452010) is 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide is CCN/C(=N\CCC(=O)Nc1cccc(C)n1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The InChIKey is IGFYUXYZPHCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O.HI/c1-7-20-17(24-13-18(3,4)19(24,5)6)21-12-11-16(25)23-15-10-8-9-14(2)22-15;/h8-10H,7,11-13H2,1-6H3,(H,20,21)(H,22,23,25);1H.
What are the key properties of 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide has a molecular weight of 473.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide is sourced from PubChem (CID 109452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).