N-(1-adamantyl)-N-methylpyridine-3-carboxamide

C17H22N2O — CID 2971348

IUPACN-(1-adamantyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c1-19(16(20)15-3-2-4-18-11-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3
InChIKeyYAOKHVRUKIBLAD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.12
Rot. Bonds2

About N-(1-adamantyl)-N-methylpyridine-3-carboxamide

N-(1-adamantyl)-N-methylpyridine-3-carboxamide (PubChem CID 2971348) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methylpyridine-3-carboxamide
PubChem CID2971348
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(1-adamantyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c1-19(16(20)15-3-2-4-18-11-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3
InChIKeyYAOKHVRUKIBLAD-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-N-methylpyridine-4-carboxamide
CID 17384437
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
CID 35151780
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
(4-oxo-1-adamantyl) pyridine-3-carboxylate
CID 14494833
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-N-methylpyridine-3-carboxamide (CID 2971348) is N-(1-adamantyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-methylpyridine-3-carboxamide?
The InChIKey is YAOKHVRUKIBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(16(20)15-3-2-4-18-11-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3.
What are the key properties of N-(1-adamantyl)-N-methylpyridine-3-carboxamide?
N-(1-adamantyl)-N-methylpyridine-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 2971348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).