6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid

C16H14N2O3 — CID 61067039

IUPAC6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2Cc3ccccc32)nc1
InChIInChI=1S/C16H14N2O3/c19-15(14-6-5-11(8-17-14)16(20)21)18-9-12-7-10-3-1-2-4-13(10)12/h1-6,8,12H,7,9H2,(H,18,19)(H,20,21)
InChIKeyZTPDCZFNQMECHN-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.85
Rot. Bonds4

About 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid

6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 61067039) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID61067039
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2Cc3ccccc32)nc1
InChIInChI=1S/C16H14N2O3/c19-15(14-6-5-11(8-17-14)16(20)21)18-9-12-7-10-3-1-2-4-13(10)12/h1-6,8,12H,7,9H2,(H,18,19)(H,20,21)
InChIKeyZTPDCZFNQMECHN-UHFFFAOYSA-N
XLogP1.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641687
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
CID 60811719
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-5-chloro-6-ethoxypyridine-3-carboxamide
CID 99807446
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-chlorobenzamide
CID 81307342
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
CID 51960739
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625369
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993314
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-methylbenzamide
CID 115770192
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995

Frequently Asked Questions

What is the IUPAC name of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid (CID 61067039) is 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)NCC2Cc3ccccc32)nc1.
What is the InChIKey of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is ZTPDCZFNQMECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(14-6-5-11(8-17-14)16(20)21)18-9-12-7-10-3-1-2-4-13(10)12/h1-6,8,12H,7,9H2,(H,18,19)(H,20,21).
What are the key properties of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid?
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 61067039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).