7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide

C19H19N3O3 — CID 146078999

IUPAC7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N(C)C3CN(c4ccccn4)C3)oc12
InChIInChI=1S/C19H19N3O3/c1-21(14-11-22(12-14)17-8-3-4-9-20-17)19(23)16-10-13-6-5-7-15(24-2)18(13)25-16/h3-10,14H,11-12H2,1-2H3
InChIKeyZHWZIJNBTIXJGN-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.80
Rot. Bonds4

About 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide

7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 146078999) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide
PubChem CID146078999
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N(C)C3CN(c4ccccn4)C3)oc12
InChIInChI=1S/C19H19N3O3/c1-21(14-11-22(12-14)17-8-3-4-9-20-17)19(23)16-10-13-6-5-7-15(24-2)18(13)25-16/h3-10,14H,11-12H2,1-2H3
InChIKeyZHWZIJNBTIXJGN-UHFFFAOYSA-N
XLogP2.80
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide (CID 146078999) is 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N(C)C3CN(c4ccccn4)C3)oc12.
What is the InChIKey of 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ZHWZIJNBTIXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21(14-11-22(12-14)17-8-3-4-9-20-17)19(23)16-10-13-6-5-7-15(24-2)18(13)25-16/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide?
7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 146078999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).