5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide

C14H15BrN2O3 — CID 129480950

IUPAC5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)N[C@@H](CO)Cc1ccncc1
InChIInChI=1S/C14H15BrN2O3/c1-9-6-12(15)20-13(9)14(19)17-11(8-18)7-10-2-4-16-5-3-10/h2-6,11,18H,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyVYTYEVMGCPYVNS-LLVKDONJSA-N
MW339.19 g/mol
LogP2.08
Rot. Bonds5

About 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide

5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide (PubChem CID 129480950) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide
PubChem CID129480950
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)N[C@@H](CO)Cc1ccncc1
InChIInChI=1S/C14H15BrN2O3/c1-9-6-12(15)20-13(9)14(19)17-11(8-18)7-10-2-4-16-5-3-10/h2-6,11,18H,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyVYTYEVMGCPYVNS-LLVKDONJSA-N
XLogP2.08
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-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

(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
CID 103791126
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
(2S)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119361264
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
CID 55824302
4-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 119201012
methyl (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-3-ethylpentanoate
CID 95781042
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 136564699
5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
CID 129358679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide (CID 129480950) is 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)N[C@@H](CO)Cc1ccncc1.
What is the InChIKey of 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide?
The InChIKey is VYTYEVMGCPYVNS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-9-6-12(15)20-13(9)14(19)17-11(8-18)7-10-2-4-16-5-3-10/h2-6,11,18H,7-8H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide?
5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 129480950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).