N-(1-adamantyl)-N-methylpyridine-4-carboxamide

C17H22N2O — CID 17384437

IUPACN-(1-adamantyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c1-19(16(20)15-2-4-18-5-3-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3
InChIKeyWRGIYFUYJJEUKK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.12
Rot. Bonds2

About N-(1-adamantyl)-N-methylpyridine-4-carboxamide

N-(1-adamantyl)-N-methylpyridine-4-carboxamide (PubChem CID 17384437) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methylpyridine-4-carboxamide
PubChem CID17384437
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(1-adamantyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c1-19(16(20)15-2-4-18-5-3-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3
InChIKeyWRGIYFUYJJEUKK-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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-N-methylpyridine-4-carboxamide (CID 17384437) is N-(1-adamantyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-methylpyridine-4-carboxamide?
The InChIKey is WRGIYFUYJJEUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(16(20)15-2-4-18-5-3-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3.
What are the key properties of N-(1-adamantyl)-N-methylpyridine-4-carboxamide?
N-(1-adamantyl)-N-methylpyridine-4-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-4-carboxamide is sourced from PubChem (CID 17384437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).