N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide

C15H19BrN2O — CID 66464343

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H19BrN2O/c1-18(9-13-7-10-2-3-11(13)6-10)15(19)12-4-5-14(16)17-8-12/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3
InChIKeyGEHYNKAHFQGPGP-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.35
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide (PubChem CID 66464343) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
PubChem CID66464343
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H19BrN2O/c1-18(9-13-7-10-2-3-11(13)6-10)15(19)12-4-5-14(16)17-8-12/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3
InChIKeyGEHYNKAHFQGPGP-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63682341
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 63681607
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 63686503
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide
CID 63685756
6-bromo-N-methyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 66463517

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide (CID 66464343) is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide is CN(CC1CC2CCC1C2)C(=O)c1ccc(Br)nc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide?
The InChIKey is GEHYNKAHFQGPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-18(9-13-7-10-2-3-11(13)6-10)15(19)12-4-5-14(16)17-8-12/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 66464343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).