(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide

C18H18N2O2 — CID 142718712

IUPAC(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@H]1[C@H](c2ccccc2)[C@H]1c1ccnc(C2CC2)c1
InChIInChI=1S/C18H18N2O2/c21-18(20-22)17-15(12-4-2-1-3-5-12)16(17)13-8-9-19-14(10-13)11-6-7-11/h1-5,8-11,15-17,22H,6-7H2,(H,20,21)/t15-,16-,17+/m1/s1
InChIKeyLASRJNMPYOZRDP-ZACQAIPSSA-N
MW294.35 g/mol
LogP2.96
Rot. Bonds4

About (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide

(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 142718712) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID142718712
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@H]1[C@H](c2ccccc2)[C@H]1c1ccnc(C2CC2)c1
InChIInChI=1S/C18H18N2O2/c21-18(20-22)17-15(12-4-2-1-3-5-12)16(17)13-8-9-19-14(10-13)11-6-7-11/h1-5,8-11,15-17,22H,6-7H2,(H,20,21)/t15-,16-,17+/m1/s1
InChIKeyLASRJNMPYOZRDP-ZACQAIPSSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 142718712) is (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)[C@H]1[C@H](c2ccccc2)[C@H]1c1ccnc(C2CC2)c1.
What is the InChIKey of (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is LASRJNMPYOZRDP-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18(20-22)17-15(12-4-2-1-3-5-12)16(17)13-8-9-19-14(10-13)11-6-7-11/h1-5,8-11,15-17,22H,6-7H2,(H,20,21)/t15-,16-,17+/m1/s1.
What are the key properties of (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 142718712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).