N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide

C16H16N4O3 — CID 135452794

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccccc1O)NCc1cccnc1
InChIInChI=1S/C16H16N4O3/c21-14-6-2-1-5-13(14)11-19-20-16(23)8-15(22)18-10-12-4-3-7-17-9-12/h1-7,9,11,21H,8,10H2,(H,18,22)(H,20,23)/b19-11+
InChIKeyLIWJOBGHJKRIRH-YBFXNURJSA-N
MW312.33 g/mol
LogP0.94
Rot. Bonds6

About N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide (PubChem CID 135452794) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
PubChem CID135452794
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccccc1O)NCc1cccnc1
InChIInChI=1S/C16H16N4O3/c21-14-6-2-1-5-13(14)11-19-20-16(23)8-15(22)18-10-12-4-3-7-17-9-12/h1-7,9,11,21H,8,10H2,(H,18,22)(H,20,23)/b19-11+
InChIKeyLIWJOBGHJKRIRH-YBFXNURJSA-N
XLogP0.94
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

Salinazid
CID 135400471
Flavoteben
CID 135400468
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
Acroteben
CID 5351737
Nicotinamide, N-(2,4-dihydroxybenzylidenehydrazinocarbonylmethyl)-
CID 135635735
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
4-Hydroxybenzaldehyde nicotinoyl hydrazone
CID 135483803
2-(4-hydroxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237312
N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]-N'-(2-pyridyl)ethane-1,2-diamide
CID 135411914
N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]-N'-(2-pyridylmethyl)ethane-1,2-diamide
CID 135411993
1-{[(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}pyridin-1-ium iodide
CID 135519980
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide (CID 135452794) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is O=C(CC(=O)N/N=C/c1ccccc1O)NCc1cccnc1.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is LIWJOBGHJKRIRH-YBFXNURJSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-14-6-2-1-5-13(14)11-19-20-16(23)8-15(22)18-10-12-4-3-7-17-9-12/h1-7,9,11,21H,8,10H2,(H,18,22)(H,20,23)/b19-11+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide?
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 312.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 135452794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).