N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

C16H18N2O — CID 101358952

IUPACN-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=C(C)C(=C2C=CN(C)C=C2)C(C)=C1
InChIInChI=1S/C16H18N2O/c1-11-9-15(17-13(3)19)10-12(2)16(11)14-5-7-18(4)8-6-14/h5-10H,1-4H3
InChIKeyUSHVTFMMZYSZNI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.15
Rot. Bonds

About N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 101358952) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
PubChem CID101358952
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=C(C)C(=C2C=CN(C)C=C2)C(C)=C1
InChIInChI=1S/C16H18N2O/c1-11-9-15(17-13(3)19)10-12(2)16(11)14-5-7-18(4)8-6-14/h5-10H,1-4H3
InChIKeyUSHVTFMMZYSZNI-UHFFFAOYSA-N
XLogP3.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-Benzodiazepin-4-yl)ethanone
CID 66671349
3-Cyclopenta-1,3-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
CID 143037792
ethane;1-methyl-4-(5-methyl-4H-pyridin-4-id-2-yl)pyridin-2-one;yttrium
CID 172336145
Acetyl-[4-[2-(4-iminocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
CID 100945645
N-(1-methylquinolin-5-ylidene)acetamide
CID 124288594
N-[4-[(2Z)-2-(1-methyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 124295823
N-[4-[(2E)-2-(1-methyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 124295824
N-[4-[2-(1-ethyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 124295901
N-[4-[(2Z)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 126419248
N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 126419249
N-[4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide;hydroiodide
CID 171377091
N-[4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 171377092

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The IUPAC name of N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (CID 101358952) is N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The canonical SMILES for N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is CC(=O)N=C1C=C(C)C(=C2C=CN(C)C=C2)C(C)=C1.
What is the InChIKey of N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The InChIKey is USHVTFMMZYSZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-9-15(17-13(3)19)10-12(2)16(11)14-5-7-18(4)8-6-14/h5-10H,1-4H3.
What are the key properties of N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 254.33 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 101358952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).