4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C16H16N4O2 — CID 6875653

IUPAC4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C16H16N4O2/c1-2-15(21)19-14-7-5-13(6-8-14)16(22)20-18-11-12-4-3-9-17-10-12/h3-11H,2H2,1H3,(H,19,21)(H,20,22)/b18-11+
InChIKeyWMRHERYDCDLNPZ-WOJGMQOQSA-N
MW296.33 g/mol
LogP2.19
Rot. Bonds5

About 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 6875653) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID6875653
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C16H16N4O2/c1-2-15(21)19-14-7-5-13(6-8-14)16(22)20-18-11-12-4-3-9-17-10-12/h3-11H,2H2,1H3,(H,19,21)(H,20,22)/b18-11+
InChIKeyWMRHERYDCDLNPZ-WOJGMQOQSA-N
XLogP2.19
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3478263
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875109
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 6875653) is 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1.
What is the InChIKey of 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is WMRHERYDCDLNPZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-15(21)19-14-7-5-13(6-8-14)16(22)20-18-11-12-4-3-9-17-10-12/h3-11H,2H2,1H3,(H,19,21)(H,20,22)/b18-11+.
What are the key properties of 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6875653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).