7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

C18H18N2O2 — CID 168942238

IUPAC7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCCN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C18H18N2O2/c1-4-20(3)16-10-9-14-15(11-17(21)22-18(14)19-16)13-8-6-5-7-12(13)2/h5-11H,4H2,1-3H3
InChIKeyZBNUVSOYNQFONP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.62
Rot. Bonds3

About 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (PubChem CID 168942238) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
PubChem CID168942238
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCCN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C18H18N2O2/c1-4-20(3)16-10-9-14-15(11-17(21)22-18(14)19-16)13-8-6-5-7-12(13)2/h5-11H,4H2,1-3H3
InChIKeyZBNUVSOYNQFONP-UHFFFAOYSA-N
XLogP3.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
CID 168942137
2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
CID 168942125
3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
CID 170188617
1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide
CID 168942286
ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
CID 168942176
3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanamide
CID 167499125
(3S)-3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanoic acid
CID 167499263
(2R)-3-hydroxy-N,N-dimethyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanamide
CID 155099166
tert-butyl 2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetate
CID 167498931
CID 167498968
CID 167498968
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (CID 168942238) is 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is CCN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1.
What is the InChIKey of 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is ZBNUVSOYNQFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-20(3)16-10-9-14-15(11-17(21)22-18(14)19-16)13-8-6-5-7-12(13)2/h5-11H,4H2,1-3H3.
What are the key properties of 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).