3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide

C15H24IN5O — CID 110989418

IUPAC3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC1CC1.I
InChIInChI=1S/C15H23N5O.HI/c1-3-16-15(19-12-7-8-12)17-10-9-14(21)20-13-6-4-5-11(2)18-13;/h4-6,12H,3,7-10H2,1-2H3,(H2,16,17,19)(H,18,20,21);1H
InChIKeyISXLXJSOYRGPGK-UHFFFAOYSA-N
MW417.30 g/mol
LogP2.05
Rot. Bonds6

About 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide

3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide (PubChem CID 110989418) has the molecular formula C15H24IN5O and a molecular weight of 417.30 g/mol. Its IUPAC name is 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide.

Molecular Properties

Compound Name3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
PubChem CID110989418
Molecular FormulaC15H24IN5O
Molecular Weight417.30 g/mol
Exact Mass417.10
IUPAC Name3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC1CC1.I
InChIInChI=1S/C15H23N5O.HI/c1-3-16-15(19-12-7-8-12)17-10-9-14(21)20-13-6-4-5-11(2)18-13;/h4-6,12H,3,7-10H2,1-2H3,(H2,16,17,19)(H,18,20,21);1H
InChIKeyISXLXJSOYRGPGK-UHFFFAOYSA-N
XLogP2.05
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 52.05
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

3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111256966
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111190794
3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111019839
3-[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111912751
N-(3-chloro-2-methylphenyl)-3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]propanamide
CID 110988564
3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110942643
3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111237589
3-[[ethylamino-[2-(4-fluorophenyl)ethylamino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111230585
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'-(4-methylsulfanylbutyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111626533
3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 109452010

Frequently Asked Questions

What is the IUPAC name of 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The IUPAC name of 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide (CID 110989418) is 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide.
What is the SMILES notation for 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The canonical SMILES for 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide is CCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC1CC1.I.
What is the InChIKey of 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
The InChIKey is ISXLXJSOYRGPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.HI/c1-3-16-15(19-12-7-8-12)17-10-9-14(21)20-13-6-4-5-11(2)18-13;/h4-6,12H,3,7-10H2,1-2H3,(H2,16,17,19)(H,18,20,21);1H.
What are the key properties of 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide?
3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide has a molecular weight of 417.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide is sourced from PubChem (CID 110989418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).