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

C16H19N5O2 — CID 58671721

IUPACN-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(N(C)C)C=CC1=N/N=c1\c(C)cccn1O
InChIInChI=1S/C16H19N5O2/c1-11-6-5-9-21(23)16(11)19-18-14-8-7-13(20(3)4)10-15(14)17-12(2)22/h5-10,23H,1-4H3/b17-15+,18-14?,19-16+
InChIKeyYGTWLNCCTLNEBW-HTTAPCSRSA-N
MW313.36 g/mol
LogP1.29
Rot. Bonds2

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

N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 58671721) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID58671721
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(N(C)C)C=CC1=N/N=c1\c(C)cccn1O
InChIInChI=1S/C16H19N5O2/c1-11-6-5-9-21(23)16(11)19-18-14-8-7-13(20(3)4)10-15(14)17-12(2)22/h5-10,23H,1-4H3/b17-15+,18-14?,19-16+
InChIKeyYGTWLNCCTLNEBW-HTTAPCSRSA-N
XLogP1.29
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.29
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
N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 58671727
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
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
N-[3-amino-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 314237
N-[3-amino-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 9561953
N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 18683814
N-[(6Z)-3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 18683815

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (CID 58671721) is N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-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\c(C)cccn1O.
What is the InChIKey of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is YGTWLNCCTLNEBW-HTTAPCSRSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-6-5-9-21(23)16(11)19-18-14-8-7-13(20(3)4)10-15(14)17-12(2)22/h5-10,23H,1-4H3/b17-15+,18-14?,19-16+.
What are the key properties of N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.29, 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-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 58671721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).