3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide

C19H33IN6O2 — CID 111022102

IUPAC3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCC(=O)Nc1cccc(C)n1.I
InChIInChI=1S/C19H32N6O2.HI/c1-4-20-19(22-14-16(3)25-10-12-27-13-11-25)21-9-8-18(26)24-17-7-5-6-15(2)23-17;/h5-7,16H,4,8-14H2,1-3H3,(H2,20,21,22)(H,23,24,26);1H
InChIKeyOATJCBXYDDHNPQ-UHFFFAOYSA-N
MW504.42 g/mol
LogP1.61
Rot. Bonds8

About 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide

3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide (PubChem CID 111022102) has the molecular formula C19H33IN6O2 and a molecular weight of 504.42 g/mol. Its IUPAC name is 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide.

Molecular Properties

Compound Name3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
PubChem CID111022102
Molecular FormulaC19H33IN6O2
Molecular Weight504.42 g/mol
Exact Mass504.17
IUPAC Name3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCC(=O)Nc1cccc(C)n1.I
InChIInChI=1S/C19H32N6O2.HI/c1-4-20-19(22-14-16(3)25-10-12-27-13-11-25)21-9-8-18(26)24-17-7-5-6-15(2)23-17;/h5-7,16H,4,8-14H2,1-3H3,(H2,20,21,22)(H,23,24,26);1H
InChIKeyOATJCBXYDDHNPQ-UHFFFAOYSA-N
XLogP1.61
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111374662
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CID 111304928
3-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
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3-[[N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111712102
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3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074265
3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110942644
1-ethyl-3-[2-(3-methylphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The IUPAC name of 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide (CID 111022102) is 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide.
What is the SMILES notation for 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The canonical SMILES for 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)NCCC(=O)Nc1cccc(C)n1.I.
What is the InChIKey of 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The InChIKey is OATJCBXYDDHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2.HI/c1-4-20-19(22-14-16(3)25-10-12-27-13-11-25)21-9-8-18(26)24-17-7-5-6-15(2)23-17;/h5-7,16H,4,8-14H2,1-3H3,(H2,20,21,22)(H,23,24,26);1H.
What are the key properties of 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide has a molecular weight of 504.42 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide is sourced from PubChem (CID 111022102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).