2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide

C20H14N2O4 — CID 18833832

IUPAC2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1ccncc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H14N2O4/c1-11-15(20(25)22-10-12-6-8-21-9-7-12)16-17(23)13-4-2-3-5-14(13)18(24)19(16)26-11/h2-9H,10H2,1H3,(H,22,25)
InChIKeyWDNKSUCCDFCITQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide

2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide (PubChem CID 18833832) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
PubChem CID18833832
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1ccncc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H14N2O4/c1-11-15(20(25)22-10-12-6-8-21-9-7-12)16-17(23)13-4-2-3-5-14(13)18(24)19(16)26-11/h2-9H,10H2,1H3,(H,22,25)
InChIKeyWDNKSUCCDFCITQ-UHFFFAOYSA-N
XLogP2.69
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 701360
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
N-benzyl-2,4,5-triphenylfuran-3-carboxamide
CID 132516883
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 100794132
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 107231330
6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide
CID 4974370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide (CID 18833832) is 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCc1ccncc1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The InChIKey is WDNKSUCCDFCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-11-15(20(25)22-10-12-6-8-21-9-7-12)16-17(23)13-4-2-3-5-14(13)18(24)19(16)26-11/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide is sourced from PubChem (CID 18833832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).