N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide

C19H26N2O3 — CID 131909299

IUPACN-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC(C)C23CC4CC(CC(O)(C4)C2)C3)ccn1
InChIInChI=1S/C19H26N2O3/c1-12(21-17(22)15-3-4-20-16(6-15)24-2)18-7-13-5-14(8-18)10-19(23,9-13)11-18/h3-4,6,12-14,23H,5,7-11H2,1-2H3,(H,21,22)
InChIKeyJHIKKLYNYRFFMW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide

N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide (PubChem CID 131909299) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide
PubChem CID131909299
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC(C)C23CC4CC(CC(O)(C4)C2)C3)ccn1
InChIInChI=1S/C19H26N2O3/c1-12(21-17(22)15-3-4-20-16(6-15)24-2)18-7-13-5-14(8-18)10-19(23,9-13)11-18/h3-4,6,12-14,23H,5,7-11H2,1-2H3,(H,21,22)
InChIKeyJHIKKLYNYRFFMW-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 99957505
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
N-[1-(1-adamantyl)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55738276
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
CID 134711908
2-methoxy-N-[1-(6-methyl-2-pyridinyl)ethyl]pyridine-4-carboxamide
CID 122564636
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide (CID 131909299) is N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC(C)C23CC4CC(CC(O)(C4)C2)C3)ccn1.
What is the InChIKey of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is JHIKKLYNYRFFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(21-17(22)15-3-4-20-16(6-15)24-2)18-7-13-5-14(8-18)10-19(23,9-13)11-18/h3-4,6,12-14,23H,5,7-11H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide?
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 131909299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).