N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide

C15H17N5O2 — CID 58671727

IUPACN-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(N(C)C)C=CC1=N/N=c1\ccccn1O
InChIInChI=1S/C15H17N5O2/c1-11(21)16-14-10-12(19(2)3)7-8-13(14)17-18-15-6-4-5-9-20(15)22/h4-10,22H,1-3H3/b16-14+,17-13?,18-15+
InChIKeyFGUPVGCXEYHVNG-FMTQTBINSA-N
MW299.33 g/mol
LogP0.98
Rot. Bonds2

About N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide

N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 58671727) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID58671727
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(N(C)C)C=CC1=N/N=c1\ccccn1O
InChIInChI=1S/C15H17N5O2/c1-11(21)16-14-10-12(19(2)3)7-8-13(14)17-18-15-6-4-5-9-20(15)22/h4-10,22H,1-3H3/b16-14+,17-13?,18-15+
InChIKeyFGUPVGCXEYHVNG-FMTQTBINSA-N
XLogP0.98
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 53960211
3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 58671720
N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 58671721
N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 59872327
N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 59879672
N-[(6Z)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 59879674
3-(Dimethylamino)-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 59879676
N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 73456264
N-[3-(dimethylamino)-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 73456265
N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane
CID 159026516
(6E)-3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 162522956
N-[3-amino-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 314237

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (CID 58671727) is N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=C(N(C)C)C=CC1=N/N=c1\ccccn1O.
What is the InChIKey of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is FGUPVGCXEYHVNG-FMTQTBINSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11(21)16-14-10-12(19(2)3)7-8-13(14)17-18-15-6-4-5-9-20(15)22/h4-10,22H,1-3H3/b16-14+,17-13?,18-15+.
What are the key properties of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 299.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 58671727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).