4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

C23H23N7O2 — CID 89119485

IUPAC4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(CCCNc1ccc(C(=O)N/N=C/c2ccncc2)cc1)N/N=C/c1ccncc1
InChIInChI=1S/C23H23N7O2/c31-22(29-27-16-18-7-12-24-13-8-18)2-1-11-26-21-5-3-20(4-6-21)23(32)30-28-17-19-9-14-25-15-10-19/h3-10,12-17,26H,1-2,11H2,(H,29,31)(H,30,32)/b27-16+,28-17+
InChIKeyAXMZOMAWMNKHFD-ODBZBXGJSA-N
MW429.48 g/mol
LogP2.58
Rot. Bonds10

About 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 89119485) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID89119485
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(CCCNc1ccc(C(=O)N/N=C/c2ccncc2)cc1)N/N=C/c1ccncc1
InChIInChI=1S/C23H23N7O2/c31-22(29-27-16-18-7-12-24-13-8-18)2-1-11-26-21-5-3-20(4-6-21)23(32)30-28-17-19-9-14-25-15-10-19/h3-10,12-17,26H,1-2,11H2,(H,29,31)(H,30,32)/b27-16+,28-17+
InChIKeyAXMZOMAWMNKHFD-ODBZBXGJSA-N
XLogP2.58
TPSA120.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-(3,5-dimethylphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3,5-dimethylphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;ethane
CID 143915628
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[[3-(dimethylamino)phenyl]methylideneamino]-4-[[4-[2-[[3-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68905297
N-[(E)-(3-cyanophenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-cyanophenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 44621355
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 44621289
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882

Frequently Asked Questions

What is the IUPAC name of 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (CID 89119485) is 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is O=C(CCCNc1ccc(C(=O)N/N=C/c2ccncc2)cc1)N/N=C/c1ccncc1.
What is the InChIKey of 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is AXMZOMAWMNKHFD-ODBZBXGJSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-22(29-27-16-18-7-12-24-13-8-18)2-1-11-26-21-5-3-20(4-6-21)23(32)30-28-17-19-9-14-25-15-10-19/h3-10,12-17,26H,1-2,11H2,(H,29,31)(H,30,32)/b27-16+,28-17+.
What are the key properties of 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.58, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 89119485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).