2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide

C15H14Cl2N2O2 — CID 107860871

IUPAC2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-13-8-18-14(17)7-12(13)15(21)19-11(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,11,20H,6,9H2,(H,19,21)/t11-/m1/s1
InChIKeyLDFPBGFLVWHYKS-LLVKDONJSA-N
MW325.20 g/mol
LogP2.72
Rot. Bonds5

About 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide

2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 107860871) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
PubChem CID107860871
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-13-8-18-14(17)7-12(13)15(21)19-11(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,11,20H,6,9H2,(H,19,21)/t11-/m1/s1
InChIKeyLDFPBGFLVWHYKS-LLVKDONJSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
CID 44590732
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (CID 107860871) is 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is LDFPBGFLVWHYKS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-13-8-18-14(17)7-12(13)15(21)19-11(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,11,20H,6,9H2,(H,19,21)/t11-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 107860871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).