2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C19H24N4O4 — CID 132968535

IUPAC2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)O/N=C(\N)Cc2cccnc2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-13(27-23-18(20)10-14-5-4-8-21-11-14)19(24)22-12-15-6-7-16(25-2)17(9-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyHVKLQZPKMQWRCM-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.63
Rot. Bonds9

About 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide

2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 132968535) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID132968535
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)O/N=C(\N)Cc2cccnc2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-13(27-23-18(20)10-14-5-4-8-21-11-14)19(24)22-12-15-6-7-16(25-2)17(9-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyHVKLQZPKMQWRCM-UHFFFAOYSA-N
XLogP1.63
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]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

(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 94866694
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296450
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
N-[N'-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamimidoyl]-2-methylpropanamide
CID 123205154
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-iodophenoxy)propanamide
CID 25466275
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 132968535) is 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)O/N=C(\N)Cc2cccnc2)cc1OC.
What is the InChIKey of 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is HVKLQZPKMQWRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13(27-23-18(20)10-14-5-4-8-21-11-14)19(24)22-12-15-6-7-16(25-2)17(9-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 372.43 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 132968535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).