N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide

C18H20N4O4 — CID 6048916

IUPACN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
SMILESCOc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C18H20N4O4/c1-25-15-6-5-13(8-16(15)26-2)12-21-22-18(24)9-17(23)20-11-14-4-3-7-19-10-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyIGRFTNRYKUJEPG-MTJSOVHGSA-N
MW356.38 g/mol
LogP1.26
Rot. Bonds8

About N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide

N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide (PubChem CID 6048916) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
PubChem CID6048916
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
SMILESCOc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C18H20N4O4/c1-25-15-6-5-13(8-16(15)26-2)12-21-22-18(24)9-17(23)20-11-14-4-3-7-19-10-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyIGRFTNRYKUJEPG-MTJSOVHGSA-N
XLogP1.26
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
N-benzyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 137063527
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94846416
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
[4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 7428985
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 6175149
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide (CID 6048916) is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1OC.
What is the InChIKey of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is IGRFTNRYKUJEPG-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-25-15-6-5-13(8-16(15)26-2)12-21-22-18(24)9-17(23)20-11-14-4-3-7-19-10-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,23)(H,22,24)/b21-12-.
What are the key properties of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 356.38 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 6048916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).