N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide

C18H19N3O3 — CID 95379554

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
SMILESO=C(NC[C@](O)(c1ccccc1)C1CC1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H19N3O3/c22-16(17(23)21-15-7-4-10-19-11-15)20-12-18(24,14-8-9-14)13-5-2-1-3-6-13/h1-7,10-11,14,24H,8-9,12H2,(H,20,22)(H,21,23)/t18-/m0/s1
InChIKeyNTHDDOQIBLGYGL-SFHVURJKSA-N
MW325.37 g/mol
LogP1.43
Rot. Bonds5

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide (PubChem CID 95379554) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
PubChem CID95379554
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
SMILESO=C(NC[C@](O)(c1ccccc1)C1CC1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H19N3O3/c22-16(17(23)21-15-7-4-10-19-11-15)20-12-18(24,14-8-9-14)13-5-2-1-3-6-13/h1-7,10-11,14,24H,8-9,12H2,(H,20,22)(H,21,23)/t18-/m0/s1
InChIKeyNTHDDOQIBLGYGL-SFHVURJKSA-N
XLogP1.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide (CID 95379554) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide is O=C(NC[C@](O)(c1ccccc1)C1CC1)C(=O)Nc1cccnc1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide?
The InChIKey is NTHDDOQIBLGYGL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16(17(23)21-15-7-4-10-19-11-15)20-12-18(24,14-8-9-14)13-5-2-1-3-6-13/h1-7,10-11,14,24H,8-9,12H2,(H,20,22)(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide has a molecular weight of 325.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 95379554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).