4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide

C20H23BrN2O3 — CID 67987810

IUPAC4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)nc1
InChIInChI=1S/C20H23BrN2O3/c1-19(2,25)15-5-8-17(22-13-15)23-18(24)20(9-11-26-12-10-20)14-3-6-16(21)7-4-14/h3-8,13,25H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyDFUWKUYQURNGIG-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.76
Rot. Bonds4

About 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide

4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 67987810) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID67987810
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)nc1
InChIInChI=1S/C20H23BrN2O3/c1-19(2,25)15-5-8-17(22-13-15)23-18(24)20(9-11-26-12-10-20)14-3-6-16(21)7-4-14/h3-8,13,25H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyDFUWKUYQURNGIG-UHFFFAOYSA-N
XLogP3.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide 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

6-[[4-(4-bromophenyl)oxane-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67987807
N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
CID 71135699
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
CID 67987785
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527087
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115609339
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide (CID 67987810) is 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide is CC(C)(O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)nc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is DFUWKUYQURNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-19(2,25)15-5-8-17(22-13-15)23-18(24)20(9-11-26-12-10-20)14-3-6-16(21)7-4-14/h3-8,13,25H,9-12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide?
4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 67987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).