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

C14H15N3O2 — CID 23554512

IUPAC8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(c2cccnc2)CCc2ccoc21
InChIInChI=1S/C14H15N3O2/c1-15-12-13-10(5-8-19-13)4-7-17(14(12)18)11-3-2-6-16-9-11/h2-3,5-6,8-9,12,15H,4,7H2,1H3
InChIKeyQMZAAVDHYGCDLU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.52
Rot. Bonds2

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

8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23554512) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23554512
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(c2cccnc2)CCc2ccoc21
InChIInChI=1S/C14H15N3O2/c1-15-12-13-10(5-8-19-13)4-7-17(14(12)18)11-3-2-6-16-9-11/h2-3,5-6,8-9,12,15H,4,7H2,1H3
InChIKeyQMZAAVDHYGCDLU-UHFFFAOYSA-N
XLogP1.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2978966
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-(pyridin-2-ylmethyl)oxalamide
CID 16194916
2-methyl-N-(pyridin-3-yl)furan-3-carboxamide
CID 573291
2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 826921
2-methyl-N-(2-pyridinylmethyl)-3-furamide
CID 896600
N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3210858
N-Cyclopentyl-N'-{furan-2-YL[(oxolan-2-ylmethyl)carbamoyl]methyl}-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3220007
N-[(Tert-butylcarbamoyl)(5-methylfuran-2-YL)methyl]-N'-cyclohexyl-N-(pyridin-3-ylmethyl)ethanediamide
CID 3220029
N-{1-[(Furan-2-ylmethyl)-carbamoyl]-2-pyridin-3-yl-vinyl}-4-methyl-benzamide
CID 5441735
N1-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-(furan-2-yl)ethyl)-N2-(pyridin-4-ylmethyl)oxalamide
CID 12005934
N1-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-(furan-2-yl)ethyl)-N2-(pyridin-3-ylmethyl)oxalamide
CID 12005938
N1-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-(furan-2-yl)ethyl)-N2-(pyridin-3-ylmethyl)oxalamide
CID 12005988

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23554512) is 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(c2cccnc2)CCc2ccoc21.
What is the InChIKey of 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is QMZAAVDHYGCDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-12-13-10(5-8-19-13)4-7-17(14(12)18)11-3-2-6-16-9-11/h2-3,5-6,8-9,12,15H,4,7H2,1H3.
What are the key properties of 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 257.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23554512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).