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

C17H20ClN3O2 — CID 162379789

IUPAC2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cncc(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-2-6-21(12-16(22)14-4-3-5-19-10-14)17(23)8-13-7-15(18)11-20-9-13/h3-5,7,9-11,16,22H,2,6,8,12H2,1H3/t16-/m1/s1
InChIKeyDNUNEFFJTRMGNZ-MRXNPFEDSA-N
MW333.82 g/mol
LogP2.64
Rot. Bonds7

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

2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379789) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379789
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cncc(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-2-6-21(12-16(22)14-4-3-5-19-10-14)17(23)8-13-7-15(18)11-20-9-13/h3-5,7,9-11,16,22H,2,6,8,12H2,1H3/t16-/m1/s1
InChIKeyDNUNEFFJTRMGNZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379789) is 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cncc(Cl)c1.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is DNUNEFFJTRMGNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-6-21(12-16(22)14-4-3-5-19-10-14)17(23)8-13-7-15(18)11-20-9-13/h3-5,7,9-11,16,22H,2,6,8,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-(5-chloro-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(5-chloro-3-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-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).