N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide

C23H33N3O3S — CID 71454920

IUPACN-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(N2CCOCC2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C23H33N3O3S/c1-2-9-30-22-18(3-4-19(24-22)26-5-7-29-8-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)
InChIKeyBWHZRRPXQJJVEO-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.09
Rot. Bonds6

About N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide

N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 71454920) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide
PubChem CID71454920
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(N2CCOCC2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C23H33N3O3S/c1-2-9-30-22-18(3-4-19(24-22)26-5-7-29-8-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)
InChIKeyBWHZRRPXQJJVEO-UHFFFAOYSA-N
XLogP3.09
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-4017
CID 24946280
N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
CID 71449567
2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]acetic acid
CID 24946103
4-[[[5-(Cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 24946802
(1R,5S)-3-[6-cyclopentylsulfanyl-5-[(5-hydroxy-2-adamantyl)carbamoyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 59830700
6-(dimethylamino)-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
CID 71449568
N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 71456704
2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 71456705
(1S,5R)-3-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-(3-methylbutylsulfanyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 58000881
2-[(3R)-1-[6-cyclohexylsulfanyl-5-[(5-hydroxy-2-adamantyl)carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]acetic acid
CID 59830692
2-[(3S)-1-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-(3-methylbutylsulfanyl)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830755
2-[(3S)-1-[5-(2-adamantylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]pyrrolidin-3-yl]oxyacetic acid
CID 24947721

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide (CID 71454920) is N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(N2CCOCC2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is BWHZRRPXQJJVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-2-9-30-22-18(3-4-19(24-22)26-5-7-29-8-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71454920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).