6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide

C16H12N2O3 — CID 726433

IUPAC6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide
SMILESCN1C=C(C(N)=O)C=CC1=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O3/c1-18-8-9(16(17)21)6-7-12(18)13-14(19)10-4-2-3-5-11(10)15(13)20/h2-8H,1H3,(H2,17,21)
InChIKeyWAQRHXZATNFZQJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.19
Rot. Bonds1

About 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide

6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide (PubChem CID 726433) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide
PubChem CID726433
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide
SMILESCN1C=C(C(N)=O)C=CC1=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O3/c1-18-8-9(16(17)21)6-7-12(18)13-14(19)10-4-2-3-5-11(10)15(13)20/h2-8H,1H3,(H2,17,21)
InChIKeyWAQRHXZATNFZQJ-UHFFFAOYSA-N
XLogP1.19
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

anthracene-9,10-dione;carbamic acid
CID 70556478
1-oxo-3-propan-2-ylindene-2-carboxamide
CID 86254260
2-[1-(2-hydroxypropyl)-4-pyridinylidene]indene-1,3-dione
CID 12640660
1-(6,12-dihydroindolo[2,3-a]quinolizin-12-ium-3-yl)ethanone
CID 100991509
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
anthracene-9,10-dione;prop-2-enamide
CID 67819663
diethyl 2-[4-(1,3-dioxoinden-2-ylidene)-1-pyridinyl]propanedioate
CID 12640612
(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one
CID 12827722
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;phthalic acid
CID 158904853
2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione
CID 126552144
2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
CID 159383507

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide?
The IUPAC name of 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide (CID 726433) is 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide is CN1C=C(C(N)=O)C=CC1=C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide?
The InChIKey is WAQRHXZATNFZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-18-8-9(16(17)21)6-7-12(18)13-14(19)10-4-2-3-5-11(10)15(13)20/h2-8H,1H3,(H2,17,21).
What are the key properties of 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide?
6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide is sourced from PubChem (CID 726433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).