2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide

C15H14Cl2N2O2 — CID 102673888

IUPAC2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-7-11(8-14(17)19-13)15(21)18-12(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,12,20H,6,9H2,(H,18,21)/t12-/m0/s1
InChIKeyJAUOZMGUEYDGAM-LBPRGKRZSA-N
MW325.20 g/mol
LogP2.72
Rot. Bonds5

About 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide

2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 102673888) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
PubChem CID102673888
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-7-11(8-14(17)19-13)15(21)18-12(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,12,20H,6,9H2,(H,18,21)/t12-/m0/s1
InChIKeyJAUOZMGUEYDGAM-LBPRGKRZSA-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]-6-methylpyridine-4-carboxamide
CID 102673663
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (CID 102673888) is 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is JAUOZMGUEYDGAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-13-7-11(8-14(17)19-13)15(21)18-12(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,12,20H,6,9H2,(H,18,21)/t12-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
2,6-dichloro-N-[(2S)-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 2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 102673888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).