2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

C18H20N4O2 — CID 162379725

IUPAC2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C#N)nc1
InChIInChI=1S/C18H20N4O2/c1-2-8-22(13-17(23)15-4-3-7-20-12-15)18(24)9-14-5-6-16(10-19)21-11-14/h3-7,11-12,17,23H,2,8-9,13H2,1H3/t17-/m1/s1
InChIKeyLHSXWQJQVSGKHK-QGZVFWFLSA-N
MW324.38 g/mol
LogP1.86
Rot. Bonds7

About 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379725) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379725
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C#N)nc1
InChIInChI=1S/C18H20N4O2/c1-2-8-22(13-17(23)15-4-3-7-20-12-15)18(24)9-14-5-6-16(10-19)21-11-14/h3-7,11-12,17,23H,2,8-9,13H2,1H3/t17-/m1/s1
InChIKeyLHSXWQJQVSGKHK-QGZVFWFLSA-N
XLogP1.86
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379725) is 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C#N)nc1.
What is the InChIKey of 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is LHSXWQJQVSGKHK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-8-22(13-17(23)15-4-3-7-20-12-15)18(24)9-14-5-6-16(10-19)21-11-14/h3-7,11-12,17,23H,2,8-9,13H2,1H3/t17-/m1/s1.
What are the key properties of 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 324.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-3-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).