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

C17H20FN3O2 — CID 162379805

IUPAC2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(F)cn1
InChIInChI=1S/C17H20FN3O2/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
InChIKeyHBVHSAHWUQNLSO-MRXNPFEDSA-N
MW317.36 g/mol
LogP2.13
Rot. Bonds7

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

2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379805) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379805
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(F)cn1
InChIInChI=1S/C17H20FN3O2/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
InChIKeyHBVHSAHWUQNLSO-MRXNPFEDSA-N
XLogP2.13
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379805) is 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is HBVHSAHWUQNLSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20FN3O2/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-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 317.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).