N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide

C23H24N2O3 — CID 67675628

IUPACN-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide
SMILESO=C(Nc1ccc2occ(C3=CCN4CCCCC4CC3)c2c1)c1ccoc1
InChIInChI=1S/C23H24N2O3/c26-23(17-9-12-27-14-17)24-18-5-7-22-20(13-18)21(15-28-22)16-4-6-19-3-1-2-10-25(19)11-8-16/h5,7-9,12-15,19H,1-4,6,10-11H2,(H,24,26)
InChIKeyUFQLSCARHAQHCR-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.31
Rot. Bonds3

About N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide

N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide (PubChem CID 67675628) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide
PubChem CID67675628
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide
SMILESO=C(Nc1ccc2occ(C3=CCN4CCCCC4CC3)c2c1)c1ccoc1
InChIInChI=1S/C23H24N2O3/c26-23(17-9-12-27-14-17)24-18-5-7-22-20(13-18)21(15-28-22)16-4-6-19-3-1-2-10-25(19)11-8-16/h5,7-9,12-15,19H,1-4,6,10-11H2,(H,24,26)
InChIKeyUFQLSCARHAQHCR-UHFFFAOYSA-N
XLogP5.31
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide
CID 54362316
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
CID 15389763
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]furan-3-carboxamide
CID 53187607
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
CID 54368561
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide?
The IUPAC name of N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide (CID 67675628) is N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide?
The canonical SMILES for N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide is O=C(Nc1ccc2occ(C3=CCN4CCCCC4CC3)c2c1)c1ccoc1.
What is the InChIKey of N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide?
The InChIKey is UFQLSCARHAQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-23(17-9-12-27-14-17)24-18-5-7-22-20(13-18)21(15-28-22)16-4-6-19-3-1-2-10-25(19)11-8-16/h5,7-9,12-15,19H,1-4,6,10-11H2,(H,24,26).
What are the key properties of N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide?
N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide is sourced from PubChem (CID 67675628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).