N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide

C21H25N3O4 — CID 130389317

IUPACN-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
SMILESCOc1c(OCC2(C)CC(C)N2)ccc2c1OCc1cnc(NC(C)=O)cc1-2
InChIInChI=1S/C21H25N3O4/c1-12-8-21(3,24-12)11-28-17-6-5-15-16-7-18(23-13(2)25)22-9-14(16)10-27-19(15)20(17)26-4/h5-7,9,12,24H,8,10-11H2,1-4H3,(H,22,23,25)
InChIKeyLYFKKPOQMIEKMG-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.13
Rot. Bonds5

About N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide

N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide (PubChem CID 130389317) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
PubChem CID130389317
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
SMILESCOc1c(OCC2(C)CC(C)N2)ccc2c1OCc1cnc(NC(C)=O)cc1-2
InChIInChI=1S/C21H25N3O4/c1-12-8-21(3,24-12)11-28-17-6-5-15-16-7-18(23-13(2)25)22-9-14(16)10-27-19(15)20(17)26-4/h5-7,9,12,24H,8,10-11H2,1-4H3,(H,22,23,25)
InChIKeyLYFKKPOQMIEKMG-UHFFFAOYSA-N
XLogP3.13
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide (CID 130389317) is N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide is COc1c(OCC2(C)CC(C)N2)ccc2c1OCc1cnc(NC(C)=O)cc1-2.
What is the InChIKey of N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The InChIKey is LYFKKPOQMIEKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-12-8-21(3,24-12)11-28-17-6-5-15-16-7-18(23-13(2)25)22-9-14(16)10-27-19(15)20(17)26-4/h5-7,9,12,24H,8,10-11H2,1-4H3,(H,22,23,25).
What are the key properties of N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 130389317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).