(7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C20H16N2O — CID 124885059

IUPAC(7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(Nc1ncccc1-c1ccccc1)[C@H]1Cc2ccccc21
InChIInChI=1S/C20H16N2O/c23-20(18-13-15-9-4-5-10-16(15)18)22-19-17(11-6-12-21-19)14-7-2-1-3-8-14/h1-12,18H,13H2,(H,21,22,23)/t18-/m0/s1
InChIKeyJSXYUFGOXUCQLU-SFHVURJKSA-N
MW300.36 g/mol
LogP4.03
Rot. Bonds3

About (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

(7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 124885059) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID124885059
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name(7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(Nc1ncccc1-c1ccccc1)[C@H]1Cc2ccccc21
InChIInChI=1S/C20H16N2O/c23-20(18-13-15-9-4-5-10-16(15)18)22-19-17(11-6-12-21-19)14-7-2-1-3-8-14/h1-12,18H,13H2,(H,21,22,23)/t18-/m0/s1
InChIKeyJSXYUFGOXUCQLU-SFHVURJKSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

(3S)-1-oxo-N-(3-phenyl-2-pyridinyl)-3,4-dihydroisochromene-3-carboxamide
CID 99819496
N-(2-chloropyrimidin-4-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 116798436
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102821041
(7S)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95981281
N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 112692653
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclopropane-1-carboxylic acid
CID 66396875
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-3-bromobenzoic acid
CID 66395314
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 66394339

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 124885059) is (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(Nc1ncccc1-c1ccccc1)[C@H]1Cc2ccccc21.
What is the InChIKey of (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is JSXYUFGOXUCQLU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20(18-13-15-9-4-5-10-16(15)18)22-19-17(11-6-12-21-19)14-7-2-1-3-8-14/h1-12,18H,13H2,(H,21,22,23)/t18-/m0/s1.
What are the key properties of (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
(7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(3-phenyl-2-pyridinyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 124885059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).