2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

C17H20ClN3O2 — CID 162379654

IUPAC2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C17H20ClN3O2/c1-2-8-21(12-16(22)13-4-3-7-19-10-13)17(23)9-15-6-5-14(18)11-20-15/h3-7,10-11,16,22H,2,8-9,12H2,1H3/t16-/m1/s1
InChIKeyKLUOEHBUOIPVDH-MRXNPFEDSA-N
MW333.82 g/mol
LogP2.64
Rot. Bonds7

About 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379654) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379654
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C17H20ClN3O2/c1-2-8-21(12-16(22)13-4-3-7-19-10-13)17(23)9-15-6-5-14(18)11-20-15/h3-7,10-11,16,22H,2,8-9,12H2,1H3/t16-/m1/s1
InChIKeyKLUOEHBUOIPVDH-MRXNPFEDSA-N
XLogP2.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide with MolForge

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Related Compounds

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379650
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-2-[6-(Trifluoromethyl)-3-Pyridyl]Acetamide
CID 162379661
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379668
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379679
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162379695
2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide
CID 162379702
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379713
N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379727
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)ethyl]-N-Propyl-2-[6-(Trifluoromethyl)Pyridazin-3-yl]Acetamide
CID 162379788
N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379797
2-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
CID 162379815

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379654) is 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is KLUOEHBUOIPVDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-8-21(12-16(22)13-4-3-7-19-10-13)17(23)9-15-6-5-14(18)11-20-15/h3-7,10-11,16,22H,2,8-9,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 333.82 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).