N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide

C19H26N2O3 — CID 141207972

IUPACN-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide
SMILESCCCOc1ncccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H26N2O3/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)
InChIKeyXDQWZPNGGBFPJL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.54
Rot. Bonds5

About N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide

N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide (PubChem CID 141207972) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide
PubChem CID141207972
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide
SMILESCCCOc1ncccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H26N2O3/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)
InChIKeyXDQWZPNGGBFPJL-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide (CID 141207972) is N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide is CCCOc1ncccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide?
The InChIKey is XDQWZPNGGBFPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22).
What are the key properties of N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide is sourced from PubChem (CID 141207972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).