N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide

C18H24N4O3S — CID 118768565

IUPACN-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O
InChIInChI=1S/C18H24N4O3S/c1-11-14(12(2)25-21-11)9-22-8-6-15(16(23)10-22)20-17(24)13-5-4-7-19-18(13)26-3/h4-5,7,15-16,23H,6,8-10H2,1-3H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyXODPJEPIFWNBNR-HZPDHXFCSA-N
MW376.48 g/mol
LogP1.77
Rot. Bonds5

About N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 118768565) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID118768565
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O
InChIInChI=1S/C18H24N4O3S/c1-11-14(12(2)25-21-11)9-22-8-6-15(16(23)10-22)20-17(24)13-5-4-7-19-18(13)26-3/h4-5,7,15-16,23H,6,8-10H2,1-3H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyXODPJEPIFWNBNR-HZPDHXFCSA-N
XLogP1.77
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 91843528
N-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-pyridin-3-ylacetamide
CID 164632888
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 118796076
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118776243
4-chloro-N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 118778411
(3R,4R)-4-(cyclopentylamino)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 118781597
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 121496147
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-(tetrazol-2-yl)acetamide
CID 118764750
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-imidazol-1-ylbutanamide
CID 118789250
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 4781705
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 118768565) is N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is XODPJEPIFWNBNR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-11-14(12(2)25-21-11)9-22-8-6-15(16(23)10-22)20-17(24)13-5-4-7-19-18(13)26-3/h4-5,7,15-16,23H,6,8-10H2,1-3H3,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 118768565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).