2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

C19H20ClN3O2 — CID 162379674

IUPAC2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C19H20ClN3O2/c1-2-8-23(13-18(24)15-4-3-7-22-12-15)19(25)10-14-5-6-17(20)16(9-14)11-21/h3-7,9,12,18,24H,2,8,10,13H2,1H3/t18-/m1/s1
InChIKeyGDFVLOQYTDKLGZ-GOSISDBHSA-N
MW357.84 g/mol
LogP3.12
Rot. Bonds7

About 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379674) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379674
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C19H20ClN3O2/c1-2-8-23(13-18(24)15-4-3-7-22-12-15)19(25)10-14-5-6-17(20)16(9-14)11-21/h3-7,9,12,18,24H,2,8,10,13H2,1H3/t18-/m1/s1
InChIKeyGDFVLOQYTDKLGZ-GOSISDBHSA-N
XLogP3.12
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379674) is 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(C#N)c1.
What is the InChIKey of 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is GDFVLOQYTDKLGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-2-8-23(13-18(24)15-4-3-7-22-12-15)19(25)10-14-5-6-17(20)16(9-14)11-21/h3-7,9,12,18,24H,2,8,10,13H2,1H3/t18-/m1/s1.
What are the key properties of 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 357.84 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-cyanophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).