5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide

C23H19BrN2O — CID 18270618

IUPAC5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC2c3ccccc3C1c1ccccc12)c1cncc(Br)c1
InChIInChI=1S/C23H19BrN2O/c24-16-9-15(11-25-13-16)23(27)26-12-14-10-21-17-5-1-3-7-19(17)22(14)20-8-4-2-6-18(20)21/h1-9,11,13-14,21-22H,10,12H2,(H,26,27)
InChIKeyHTLXYDAVJRHWFR-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.87
Rot. Bonds3

About 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide

5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide (PubChem CID 18270618) has the molecular formula C23H19BrN2O and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide
PubChem CID18270618
Molecular FormulaC23H19BrN2O
Molecular Weight419.32 g/mol
Exact Mass418.07
IUPAC Name5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC2c3ccccc3C1c1ccccc12)c1cncc(Br)c1
InChIInChI=1S/C23H19BrN2O/c24-16-9-15(11-25-13-16)23(27)26-12-14-10-21-17-5-1-3-7-19(17)22(14)20-8-4-2-6-18(20)21/h1-9,11,13-14,21-22H,10,12H2,(H,26,27)
InChIKeyHTLXYDAVJRHWFR-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 5298348
4-chloro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18205686
4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
CID 25496478
2,4-dioxo-1-propyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553541
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18292880
1-[(3-methylsulfonylbenzoyl)amino]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea
CID 166185052
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
N-[(2S)-4-oxo-4-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methylamino]butan-2-yl]benzamide
CID 30693866
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689611
6-(dimethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridazine-3-carboxamide
CID 56511348
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide (CID 18270618) is 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide is O=C(NCC1CC2c3ccccc3C1c1ccccc12)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide?
The InChIKey is HTLXYDAVJRHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O/c24-16-9-15(11-25-13-16)23(27)26-12-14-10-21-17-5-1-3-7-19(17)22(14)20-8-4-2-6-18(20)21/h1-9,11,13-14,21-22H,10,12H2,(H,26,27).
What are the key properties of 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide?
5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18270618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).