N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide

C15H12Cl2N2O — CID 106993314

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc21)c1ccc(Cl)nc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-13-6-5-12(14(17)19-13)15(20)18-8-10-7-9-3-1-2-4-11(9)10/h1-6,10H,7-8H2,(H,18,20)
InChIKeyJJBHLFZFPMSJMG-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.46
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 106993314) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID106993314
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc21)c1ccc(Cl)nc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-13-6-5-12(14(17)19-13)15(20)18-8-10-7-9-3-1-2-4-11(9)10/h1-6,10H,7-8H2,(H,18,20)
InChIKeyJJBHLFZFPMSJMG-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromo-4-chlorobenzamide
CID 103764250
2,4-diamino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzamide
CID 61111657
5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide
CID 107184150
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625369
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromobenzamide
CID 79719160
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
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide
CID 66409561
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
CID 60811719
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-chlorobenzamide
CID 81307342
5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,4-difluorobenzamide
CID 61111839
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 61067039

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide (CID 106993314) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide is O=C(NCC1Cc2ccccc21)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is JJBHLFZFPMSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-13-6-5-12(14(17)19-13)15(20)18-8-10-7-9-3-1-2-4-11(9)10/h1-6,10H,7-8H2,(H,18,20).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 307.18 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 106993314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).