3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide

C19H26IN5O2 — CID 111093107

IUPAC3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCc1ccc(NC(=O)CC/N=C(\N)Nc2ccc(OC(C)C)cc2)nc1.I
InChIInChI=1S/C19H25N5O2.HI/c1-13(2)26-16-7-5-15(6-8-16)23-19(20)21-11-10-18(25)24-17-9-4-14(3)12-22-17;/h4-9,12-13H,10-11H2,1-3H3,(H3,20,21,23)(H,22,24,25);1H
InChIKeyKCHMPGLAROQFBF-UHFFFAOYSA-N
MW483.35 g/mol
LogP3.55
Rot. Bonds7

About 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide

3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide (PubChem CID 111093107) has the molecular formula C19H26IN5O2 and a molecular weight of 483.35 g/mol. Its IUPAC name is 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
PubChem CID111093107
Molecular FormulaC19H26IN5O2
Molecular Weight483.35 g/mol
Exact Mass483.11
IUPAC Name3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCc1ccc(NC(=O)CC/N=C(\N)Nc2ccc(OC(C)C)cc2)nc1.I
InChIInChI=1S/C19H25N5O2.HI/c1-13(2)26-16-7-5-15(6-8-16)23-19(20)21-11-10-18(25)24-17-9-4-14(3)12-22-17;/h4-9,12-13H,10-11H2,1-3H3,(H3,20,21,23)(H,22,24,25);1H
InChIKeyKCHMPGLAROQFBF-UHFFFAOYSA-N
XLogP3.55
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 53.55
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'}

Analyze 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 111094261
2-[2-(3,5-dimethylphenoxy)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111078554
2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111813701
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095030
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110030806
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111126583
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089343
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110927806

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
The IUPAC name of 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide (CID 111093107) is 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide is Cc1ccc(NC(=O)CC/N=C(\N)Nc2ccc(OC(C)C)cc2)nc1.I.
What is the InChIKey of 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
The InChIKey is KCHMPGLAROQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.HI/c1-13(2)26-16-7-5-15(6-8-16)23-19(20)21-11-10-18(25)24-17-9-4-14(3)12-22-17;/h4-9,12-13H,10-11H2,1-3H3,(H3,20,21,23)(H,22,24,25);1H.
What are the key properties of 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide has a molecular weight of 483.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide is sourced from PubChem (CID 111093107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).