(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide

C16H15N3O3 — CID 71455609

IUPAC(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide
SMILESO=C(NO)/C(=C\c1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H15N3O3/c20-15(18-11-13-6-8-17-9-7-13)14(16(21)19-22)10-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,18,20)(H,19,21)/b14-10-
InChIKeyAARPXDCRBCEZAI-UVTDQMKNSA-N
MW297.31 g/mol
LogP1.29
Rot. Bonds5

About (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide

(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 71455609) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound Name(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID71455609
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide
SMILESO=C(NO)/C(=C\c1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H15N3O3/c20-15(18-11-13-6-8-17-9-7-13)14(16(21)19-22)10-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,18,20)(H,19,21)/b14-10-
InChIKeyAARPXDCRBCEZAI-UVTDQMKNSA-N
XLogP1.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-benzyl-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
CID 71455608
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
CID 71461034
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891645
N,N'-dibenzyl-2-[[4-(difluoromethoxy)phenyl]methylidene]propanediamide
CID 22829983
N-[(Z)-1-[4-(2-bromophenoxy)phenyl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 58586094
3-phenyl-2-(pyridin-4-ylcarbamoyl)prop-2-enoic acid
CID 54180084
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3838884
N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 1345628
(E)-2-cyano-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 112979583
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide (CID 71455609) is (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide is O=C(NO)/C(=C\c1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is AARPXDCRBCEZAI-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(18-11-13-6-8-17-9-7-13)14(16(21)19-22)10-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,18,20)(H,19,21)/b14-10-.
What are the key properties of (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide?
(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 297.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 71455609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).