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

C18H19N3O3 — CID 71788826

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
SMILESO=C(NCC(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)
InChIKeyNTHDDOQIBLGYGL-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.43
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide (PubChem CID 71788826) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
PubChem CID71788826
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
SMILESO=C(NCC(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)
InChIKeyNTHDDOQIBLGYGL-UHFFFAOYSA-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'}

Analyze N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
CID 95379554
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90535613
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide
CID 86264037
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
CID 95379625
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide (CID 71788826) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide is O=C(NCC(O)(c1ccccc1)C1CC1)C(=O)Nc1cccnc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide?
The InChIKey is NTHDDOQIBLGYGL-UHFFFAOYSA-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).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide?
N-(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-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 71788826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).