7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

C17H16N2O2 — CID 168942137

IUPAC7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N(C)C)ccc12
InChIInChI=1S/C17H16N2O2/c1-11-6-4-5-7-12(11)14-10-16(20)21-17-13(14)8-9-15(18-17)19(2)3/h4-10H,1-3H3
InChIKeyJRIOPMIMRWZEDJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.23
Rot. Bonds2

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

7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (PubChem CID 168942137) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
PubChem CID168942137
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N(C)C)ccc12
InChIInChI=1S/C17H16N2O2/c1-11-6-4-5-7-12(11)14-10-16(20)21-17-13(14)8-9-15(18-17)19(2)3/h4-10H,1-3H3
InChIKeyJRIOPMIMRWZEDJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
CID 168942238
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
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753
6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
CID 122537723
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
(2R)-3-hydroxy-N,N-dimethyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanamide
CID 155099166
N,N,2-trimethyl-3-[4-(2-methylphenyl)-2-oxochromen-7-yl]prop-2-enamide
CID 167499207
3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanamide
CID 167499125

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (CID 168942137) is 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is Cc1ccccc1-c1cc(=O)oc2nc(N(C)C)ccc12.
What is the InChIKey of 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is JRIOPMIMRWZEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-4-5-7-12(11)14-10-16(20)21-17-13(14)8-9-15(18-17)19(2)3/h4-10H,1-3H3.
What are the key properties of 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).