8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C15H17N3O2 — CID 23554532

IUPAC8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2ccncc2)CCc2ccoc21
InChIInChI=1S/C15H17N3O2/c1-16-13-14-12(5-9-20-14)4-8-18(15(13)19)10-11-2-6-17-7-3-11/h2-3,5-7,9,13,16H,4,8,10H2,1H3
InChIKeyOGPGQQLWFIFVQV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.52
Rot. Bonds3

About 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23554532) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23554532
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2ccncc2)CCc2ccoc21
InChIInChI=1S/C15H17N3O2/c1-16-13-14-12(5-9-20-14)4-8-18(15(13)19)10-11-2-6-17-7-3-11/h2-3,5-7,9,13,16H,4,8,10H2,1H3
InChIKeyOGPGQQLWFIFVQV-UHFFFAOYSA-N
XLogP1.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23554532) is 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(Cc2ccncc2)CCc2ccoc21.
What is the InChIKey of 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is OGPGQQLWFIFVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-13-14-12(5-9-20-14)4-8-18(15(13)19)10-11-2-6-17-7-3-11/h2-3,5-7,9,13,16H,4,8,10H2,1H3.
What are the key properties of 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 271.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23554532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).