3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide

C21H30N2O2 — CID 131944828

IUPAC3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
SMILESCCC12CC3CC(O)(C1)CC(C(=O)NCCCc1ccccn1)(C3)C2
InChIInChI=1S/C21H30N2O2/c1-2-19-10-16-11-20(13-19,15-21(25,12-16)14-19)18(24)23-9-5-7-17-6-3-4-8-22-17/h3-4,6,8,16,25H,2,5,7,9-15H2,1H3,(H,23,24)
InChIKeyJDMUJHAYPZNJLV-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.24
Rot. Bonds6

About 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide

3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide (PubChem CID 131944828) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
PubChem CID131944828
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
SMILESCCC12CC3CC(O)(C1)CC(C(=O)NCCCc1ccccn1)(C3)C2
InChIInChI=1S/C21H30N2O2/c1-2-19-10-16-11-20(13-19,15-21(25,12-16)14-19)18(24)23-9-5-7-17-6-3-4-8-22-17/h3-4,6,8,16,25H,2,5,7,9-15H2,1H3,(H,23,24)
InChIKeyJDMUJHAYPZNJLV-UHFFFAOYSA-N
XLogP3.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
(1R,3S,5R,7R)-3-ethyl-5-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 98353753
(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 39898183
3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 51109928
N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
N-[3-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 55981551
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
The IUPAC name of 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide (CID 131944828) is 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
The canonical SMILES for 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide is CCC12CC3CC(O)(C1)CC(C(=O)NCCCc1ccccn1)(C3)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
The InChIKey is JDMUJHAYPZNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-19-10-16-11-20(13-19,15-21(25,12-16)14-19)18(24)23-9-5-7-17-6-3-4-8-22-17/h3-4,6,8,16,25H,2,5,7,9-15H2,1H3,(H,23,24).
What are the key properties of 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 131944828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).