(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide

C24H28N2O — CID 39898183

IUPAC(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCCc1ccccn1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H28N2O/c27-22(26-11-9-21-8-4-5-10-25-21)24-15-18-12-19(16-24)14-23(13-18,17-24)20-6-2-1-3-7-20/h1-8,10,18-19H,9,11-17H2,(H,26,27)/t18-,19+,23?,24?
InChIKeyFYNKPUZLXHQREH-LHHMWQFHSA-N
MW360.50 g/mol
LogP4.28
Rot. Bonds5

About (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide

(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide (PubChem CID 39898183) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
PubChem CID39898183
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCCc1ccccn1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H28N2O/c27-22(26-11-9-21-8-4-5-10-25-21)24-15-18-12-19(16-24)14-23(13-18,17-24)20-6-2-1-3-7-20/h1-8,10,18-19H,9,11-17H2,(H,26,27)/t18-,19+,23?,24?
InChIKeyFYNKPUZLXHQREH-LHHMWQFHSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide?
The IUPAC name of (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide (CID 39898183) is (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide is O=C(NCCc1ccccn1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide?
The InChIKey is FYNKPUZLXHQREH-LHHMWQFHSA-N. The full InChI is InChI=1S/C24H28N2O/c27-22(26-11-9-21-8-4-5-10-25-21)24-15-18-12-19(16-24)14-23(13-18,17-24)20-6-2-1-3-7-20/h1-8,10,18-19H,9,11-17H2,(H,26,27)/t18-,19+,23?,24?.
What are the key properties of (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide?
(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 39898183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).