N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide

C20H16N6O2 — CID 1101714

IUPACN-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(C=NNC(=O)c2ccncc2)cc1)c1ccncc1
InChIInChI=1S/C20H16N6O2/c27-19(17-5-9-21-10-6-17)25-23-13-15-1-2-16(4-3-15)14-24-26-20(28)18-7-11-22-12-8-18/h1-14H,(H,25,27)(H,26,28)
InChIKeyJNYQEQUWGHEYNJ-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.00
Rot. Bonds6

About N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide

N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 1101714) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID1101714
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(C=NNC(=O)c2ccncc2)cc1)c1ccncc1
InChIInChI=1S/C20H16N6O2/c27-19(17-5-9-21-10-6-17)25-23-13-15-1-2-16(4-3-15)14-24-26-20(28)18-7-11-22-12-8-18/h1-14H,(H,25,27)(H,26,28)
InChIKeyJNYQEQUWGHEYNJ-UHFFFAOYSA-N
XLogP2.00
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
N-[[4-(N-methylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5149584
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide (CID 1101714) is N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1ccc(C=NNC(=O)c2ccncc2)cc1)c1ccncc1.
What is the InChIKey of N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is JNYQEQUWGHEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19(17-5-9-21-10-6-17)25-23-13-15-1-2-16(4-3-15)14-24-26-20(28)18-7-11-22-12-8-18/h1-14H,(H,25,27)(H,26,28).
What are the key properties of N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 1101714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).