N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide

C18H19BrN2O3 — CID 129391205

IUPACN-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide
SMILESO=C(c1cc(Br)ccn1)N(Cc1ccccc1)O[C@@H]1CCCCO1
InChIInChI=1S/C18H19BrN2O3/c19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2/t17-/m1/s1
InChIKeyWGPVCUCTCUKFOZ-QGZVFWFLSA-N
MW391.27 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide

N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide (PubChem CID 129391205) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide
PubChem CID129391205
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide
SMILESO=C(c1cc(Br)ccn1)N(Cc1ccccc1)O[C@@H]1CCCCO1
InChIInChI=1S/C18H19BrN2O3/c19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2/t17-/m1/s1
InChIKeyWGPVCUCTCUKFOZ-QGZVFWFLSA-N
XLogP3.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide (CID 129391205) is N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide is O=C(c1cc(Br)ccn1)N(Cc1ccccc1)O[C@@H]1CCCCO1.
What is the InChIKey of N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is WGPVCUCTCUKFOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2/t17-/m1/s1.
What are the key properties of N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide?
N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-N-[(2R)-oxan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 129391205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).