N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide

C17H21BrN2O — CID 107518523

IUPACN-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1Br)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H21BrN2O/c1-20(17(21)15-14(18)3-2-4-19-15)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16H,5-9H2,1H3
InChIKeyYKONBCSKWZDVIT-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.74
Rot. Bonds2

About N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide

N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide (PubChem CID 107518523) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide
PubChem CID107518523
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1Br)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H21BrN2O/c1-20(17(21)15-14(18)3-2-4-19-15)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16H,5-9H2,1H3
InChIKeyYKONBCSKWZDVIT-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107519919
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497458
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
N-(2-adamantyl)-4-amino-N-methylbenzamide
CID 60945227
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106686283
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518504
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide (CID 107518523) is N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide is CN(C(=O)c1ncccc1Br)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide?
The InChIKey is YKONBCSKWZDVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(17(21)15-14(18)3-2-4-19-15)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16H,5-9H2,1H3.
What are the key properties of N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide?
N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107518523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).