2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide

C18H22ClN3O2 — CID 162379675

IUPAC2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)c(C)n1
InChIInChI=1S/C18H22ClN3O2/c1-3-9-22(12-17(23)14-5-4-8-20-11-14)18(24)10-15-6-7-16(19)13(2)21-15/h4-8,11,17,23H,3,9-10,12H2,1-2H3
InChIKeyHYRNMOSTBWNOTJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.95
Rot. Bonds7

About 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide

2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide (PubChem CID 162379675) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
PubChem CID162379675
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)c(C)n1
InChIInChI=1S/C18H22ClN3O2/c1-3-9-22(12-17(23)14-5-4-8-20-11-14)18(24)10-15-6-7-16(19)13(2)21-15/h4-8,11,17,23H,3,9-10,12H2,1-2H3
InChIKeyHYRNMOSTBWNOTJ-UHFFFAOYSA-N
XLogP2.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
The IUPAC name of 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide (CID 162379675) is 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide is CCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)c(C)n1.
What is the InChIKey of 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
The InChIKey is HYRNMOSTBWNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-9-22(12-17(23)14-5-4-8-20-11-14)18(24)10-15-6-7-16(19)13(2)21-15/h4-8,11,17,23H,3,9-10,12H2,1-2H3.
What are the key properties of 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide has a molecular weight of 347.85 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-2-pyridinyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide is sourced from PubChem (CID 162379675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).