N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

C19H19ClN2O2 — CID 128900674

IUPACN-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESO=C(NC1CCCOc2c(Cl)cccc21)C1CCc2cccnc21
InChIInChI=1S/C19H19ClN2O2/c20-15-6-1-5-13-16(7-3-11-24-18(13)15)22-19(23)14-9-8-12-4-2-10-21-17(12)14/h1-2,4-6,10,14,16H,3,7-9,11H2,(H,22,23)
InChIKeyPFOTXJDSOYBQAQ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.79
Rot. Bonds2

About N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (PubChem CID 128900674) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
PubChem CID128900674
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESO=C(NC1CCCOc2c(Cl)cccc21)C1CCc2cccnc21
InChIInChI=1S/C19H19ClN2O2/c20-15-6-1-5-13-16(7-3-11-24-18(13)15)22-19(23)14-9-8-12-4-2-10-21-17(12)14/h1-2,4-6,10,14,16H,3,7-9,11H2,(H,22,23)
InChIKeyPFOTXJDSOYBQAQ-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1R)-8-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 71699647
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
N-[(5R)-8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 95271671
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-5-(2H-triazol-4-yl)pentanamide
CID 75509485
N-[(5S)-9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124881783
N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 141444031
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
4-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674707
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 124882769
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 119301900

Frequently Asked Questions

What is the IUPAC name of N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The IUPAC name of N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (CID 128900674) is N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.
What is the SMILES notation for N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The canonical SMILES for N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is O=C(NC1CCCOc2c(Cl)cccc21)C1CCc2cccnc21.
What is the InChIKey of N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The InChIKey is PFOTXJDSOYBQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-15-6-1-5-13-16(7-3-11-24-18(13)15)22-19(23)14-9-8-12-4-2-10-21-17(12)14/h1-2,4-6,10,14,16H,3,7-9,11H2,(H,22,23).
What are the key properties of N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is sourced from PubChem (CID 128900674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).