6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide

C14H15BrN2O — CID 103916993

IUPAC6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1cccc(Br)n1
InChIInChI=1S/C14H15BrN2O/c15-10-3-1-2-9(16-10)14(18)17-13-11-7-4-5-8(6-7)12(11)13/h1-3,7-8,11-13H,4-6H2,(H,17,18)
InChIKeyDIXSGNAYQTXQNQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.62
Rot. Bonds2

About 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide

6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide (PubChem CID 103916993) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
PubChem CID103916993
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1cccc(Br)n1
InChIInChI=1S/C14H15BrN2O/c15-10-3-1-2-9(16-10)14(18)17-13-11-7-4-5-8(6-7)12(11)13/h1-3,7-8,11-13H,4-6H2,(H,17,18)
InChIKeyDIXSGNAYQTXQNQ-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.62
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

6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
CID 162527967
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
3-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767212
6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103889979
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-bromo-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 103889926

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide (CID 103916993) is 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide is O=C(NC1C2C3CCC(C3)C12)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
The InChIKey is DIXSGNAYQTXQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-10-3-1-2-9(16-10)14(18)17-13-11-7-4-5-8(6-7)12(11)13/h1-3,7-8,11-13H,4-6H2,(H,17,18).
What are the key properties of 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide is sourced from PubChem (CID 103916993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).