4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

C13H12N4O — CID 5391862

IUPAC4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2ccncc2)cc1
InChIInChI=1S/C13H12N4O/c14-12-3-1-11(2-4-12)13(18)17-16-9-10-5-7-15-8-6-10/h1-9H,14H2,(H,17,18)/b16-9-
InChIKeyKOPAMIPIWKJYGK-SXGWCWSVSA-N
MW240.27 g/mol
LogP1.43
Rot. Bonds3

About 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 5391862) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID5391862
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2ccncc2)cc1
InChIInChI=1S/C13H12N4O/c14-12-3-1-11(2-4-12)13(18)17-16-9-10-5-7-15-8-6-10/h1-9H,14H2,(H,17,18)/b16-9-
InChIKeyKOPAMIPIWKJYGK-SXGWCWSVSA-N
XLogP1.43
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
CID 137178269
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
CID 170219541
4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 89119485
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide (CID 5391862) is 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2ccncc2)cc1.
What is the InChIKey of 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is KOPAMIPIWKJYGK-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H12N4O/c14-12-3-1-11(2-4-12)13(18)17-16-9-10-5-7-15-8-6-10/h1-9H,14H2,(H,17,18)/b16-9-.
What are the key properties of 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide has a molecular weight of 240.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 5391862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).