2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide

C13H21N5O3 — CID 136868891

IUPAC2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H21N5O3/c1-9(13(19)16-5-6-21-2)17-8-10-3-4-15-11(7-10)12(14)18-20/h3-4,7,9,17,20H,5-6,8H2,1-2H3,(H2,14,18)(H,16,19)
InChIKeyIZAUYTMKFBZAGX-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.58
Rot. Bonds8

About 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide

2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 136868891) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID136868891
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H21N5O3/c1-9(13(19)16-5-6-21-2)17-8-10-3-4-15-11(7-10)12(14)18-20/h3-4,7,9,17,20H,5-6,8H2,1-2H3,(H2,14,18)(H,16,19)
InChIKeyIZAUYTMKFBZAGX-UHFFFAOYSA-N
XLogP-0.58
TPSA121.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide 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

N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 105401683
3-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 103262891
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
2-[[3-(N'-hydroxycarbamimidoyl)phenyl]methylamino]-N-propylpropanamide
CID 77030886
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide (CID 136868891) is 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is IZAUYTMKFBZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(13(19)16-5-6-21-2)17-8-10-3-4-15-11(7-10)12(14)18-20/h3-4,7,9,17,20H,5-6,8H2,1-2H3,(H2,14,18)(H,16,19).
What are the key properties of 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide?
2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of -0.58, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 136868891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).