2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one

C20H16N2O2 — CID 69428887

IUPAC2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3coccc-3n2)c2ccccc12
InChIInChI=1S/C20H16N2O2/c1-22(2)19-8-7-14(13-5-3-4-6-15(13)19)18-11-20(23)16-12-24-10-9-17(16)21-18/h3-12H,1-2H3
InChIKeyFSEBNKSZXUZZKA-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.03
Rot. Bonds2

About 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one

2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one (PubChem CID 69428887) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one
PubChem CID69428887
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3coccc-3n2)c2ccccc12
InChIInChI=1S/C20H16N2O2/c1-22(2)19-8-7-14(13-5-3-4-6-15(13)19)18-11-20(23)16-12-24-10-9-17(16)21-18/h3-12H,1-2H3
InChIKeyFSEBNKSZXUZZKA-UHFFFAOYSA-N
XLogP4.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one?
The IUPAC name of 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one (CID 69428887) is 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one is CN(C)c1ccc(-c2cc(=O)c3coccc-3n2)c2ccccc12.
What is the InChIKey of 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one?
The InChIKey is FSEBNKSZXUZZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22(2)19-8-7-14(13-5-3-4-6-15(13)19)18-11-20(23)16-12-24-10-9-17(16)21-18/h3-12H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one?
2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one has a molecular weight of 316.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)naphthalen-1-yl]pyrano[4,3-b]pyridin-4-one is sourced from PubChem (CID 69428887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).