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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Related Compounds

2-[(3S)-1-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-propoxy-2-pyridinyl]piperidin-3-yl]acetic acid;2-[1-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-propoxy-2-pyridinyl]piperidin-3-yl]-2-methylpropanoic acid
CID 87501682
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649
6-chloro-N-[(1R,6R)-1-hydroxy-6-tricyclo[5.3.1.03,9]undecanyl]-2-propoxypyridine-3-carboxamide
CID 89049828
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
2-ethyl-4-(2-fluoro-3-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
CID 56942488
(1S,5R)-3-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162645994
5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 66635643
4-(3,5-difluorobenzoyl)-2-ethyl-N-(5-hydroxy-2-adamantyl)benzamide
CID 56942967
2-[(3S)-1-[5-[[5-(difluoromethoxy)-2-adamantyl]carbamoyl]-6-propoxy-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830734
2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
CID 66635409
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
CID 66635743
N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide
CID 46548907

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).