2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C17H12N2O3 — CID 665632

IUPAC2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccncc1
InChIInChI=1S/C17H12N2O3/c1-19-14(10-6-8-18-9-7-10)13-15(20)11-4-2-3-5-12(11)22-16(13)17(19)21/h2-9,14H,1H3
InChIKeyORAQVTZAQJLOAU-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.36
Rot. Bonds1

About 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 665632) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID665632
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccncc1
InChIInChI=1S/C17H12N2O3/c1-19-14(10-6-8-18-9-7-10)13-15(20)11-4-2-3-5-12(11)22-16(13)17(19)21/h2-9,14H,1H3
InChIKeyORAQVTZAQJLOAU-UHFFFAOYSA-N
XLogP2.36
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US9546152, example 19
CID 74222402
2-Pyridin-3-ylchromen-4-one
CID 241786
4-Acetyl-3-hydroxy-5-(4-methoxy-phenyl)-1-pyridin-3-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 3141388
2-(Pyridin-4-yl)-4h-chromen-4-one
CID 242586
2-(3-(Diethylamino)propyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664227
2-Methyl-1-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665545
2-(Furan-2-ylmethyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665746
1-(4-Hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 666588
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2945586
N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 2998386
1-(3-Methoxyphenyl)-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3692677
1-(4-Methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4894304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 665632) is 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccncc1.
What is the InChIKey of 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ORAQVTZAQJLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-19-14(10-6-8-18-9-7-10)13-15(20)11-4-2-3-5-12(11)22-16(13)17(19)21/h2-9,14H,1H3.
What are the key properties of 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 292.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 665632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).