3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide

C16H21BrN2O — CID 107519043

IUPAC3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1ncccc1Br
InChIInChI=1S/C16H21BrN2O/c1-15(2)10-6-7-16(3,9-10)14(15)19-13(20)12-11(17)5-4-8-18-12/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyASKXKLISHAWUAO-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.79
Rot. Bonds2

About 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide

3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide (PubChem CID 107519043) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
PubChem CID107519043
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1ncccc1Br
InChIInChI=1S/C16H21BrN2O/c1-15(2)10-6-7-16(3,9-10)14(15)19-13(20)12-11(17)5-4-8-18-12/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyASKXKLISHAWUAO-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide (CID 107519043) is 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
The InChIKey is ASKXKLISHAWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-15(2)10-6-7-16(3,9-10)14(15)19-13(20)12-11(17)5-4-8-18-12/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).