N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide

C16H16ClN3O3 — CID 51824206

IUPACN-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
SMILESO=C(Nc1ccnc(Cl)c1)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H16ClN3O3/c17-14-9-12(6-7-18-14)19-15(22)16(23)20-13(10-21)8-11-4-2-1-3-5-11/h1-7,9,13,21H,8,10H2,(H,20,23)(H,18,19,22)/t13-/m1/s1
InChIKeyGIWGCHANOXXMAC-CYBMUJFWSA-N
MW333.78 g/mol
LogP1.39
Rot. Bonds5

About N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide

N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide (PubChem CID 51824206) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
PubChem CID51824206
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
SMILESO=C(Nc1ccnc(Cl)c1)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H16ClN3O3/c17-14-9-12(6-7-18-14)19-15(22)16(23)20-13(10-21)8-11-4-2-1-3-5-11/h1-7,9,13,21H,8,10H2,(H,20,23)(H,18,19,22)/t13-/m1/s1
InChIKeyGIWGCHANOXXMAC-CYBMUJFWSA-N
XLogP1.39
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99703684
N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide
CID 107861945

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide (CID 51824206) is N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide is O=C(Nc1ccnc(Cl)c1)C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
The InChIKey is GIWGCHANOXXMAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-14-9-12(6-7-18-14)19-15(22)16(23)20-13(10-21)8-11-4-2-1-3-5-11/h1-7,9,13,21H,8,10H2,(H,20,23)(H,18,19,22)/t13-/m1/s1.
What are the key properties of N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide has a molecular weight of 333.78 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide is sourced from PubChem (CID 51824206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).