2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide

C23H31N3O3 — CID 71456705

IUPAC2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1
InChIInChI=1S/C23H31N3O3/c27-22(25-20-16-9-14-10-17(20)13-23(28,11-14)12-16)18-3-4-19(24-21(18)15-1-2-15)26-5-7-29-8-6-26/h3-4,14-17,20,28H,1-2,5-13H2,(H,25,27)
InChIKeyWYTGYKXJNWWDCV-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.46
Rot. Bonds4

About 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide

2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 71456705) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID71456705
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1
InChIInChI=1S/C23H31N3O3/c27-22(25-20-16-9-14-10-17(20)13-23(28,11-14)12-16)18-3-4-19(24-21(18)15-1-2-15)26-5-7-29-8-6-26/h3-4,14-17,20,28H,1-2,5-13H2,(H,25,27)
InChIKeyWYTGYKXJNWWDCV-UHFFFAOYSA-N
XLogP2.46
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67465189
N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide
CID 71454920
6-[4-(4-aminophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590875
6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590965
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-[4-(methylcarbamoyl)phenyl]piperazin-1-yl]pyridine-2-carboxamide
CID 54591293
N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591749
N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 54591819
N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 54591821
6-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54591822
N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591824
6-[4-(4-cyanophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54591982
N-(5-hydroxy-2-adamantyl)-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-2-carboxamide
CID 54591985

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 71456705) is 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is WYTGYKXJNWWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-22(25-20-16-9-14-10-17(20)13-23(28,11-14)12-16)18-3-4-19(24-21(18)15-1-2-15)26-5-7-29-8-6-26/h3-4,14-17,20,28H,1-2,5-13H2,(H,25,27).
What are the key properties of 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide?
2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71456705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).