N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide

C17H17Cl2N3O3 — CID 170715468

IUPACN-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc(Cl)nc1)Nc1cc(OC2CCCOC2)c(Cl)cn1
InChIInChI=1S/C17H17Cl2N3O3/c18-13-9-21-16(7-14(13)25-12-2-1-5-24-10-12)22-17(23)6-11-3-4-15(19)20-8-11/h3-4,7-9,12H,1-2,5-6,10H2,(H,21,22,23)
InChIKeyJSCHYXSUEZYZSX-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.52
Rot. Bonds5

About N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide

N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide (PubChem CID 170715468) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide
PubChem CID170715468
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC NameN-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc(Cl)nc1)Nc1cc(OC2CCCOC2)c(Cl)cn1
InChIInChI=1S/C17H17Cl2N3O3/c18-13-9-21-16(7-14(13)25-12-2-1-5-24-10-12)22-17(23)6-11-3-4-15(19)20-8-11/h3-4,7-9,12H,1-2,5-6,10H2,(H,21,22,23)
InChIKeyJSCHYXSUEZYZSX-UHFFFAOYSA-N
XLogP3.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide?
The IUPAC name of N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide (CID 170715468) is N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide is O=C(Cc1ccc(Cl)nc1)Nc1cc(OC2CCCOC2)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide?
The InChIKey is JSCHYXSUEZYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c18-13-9-21-16(7-14(13)25-12-2-1-5-24-10-12)22-17(23)6-11-3-4-15(19)20-8-11/h3-4,7-9,12H,1-2,5-6,10H2,(H,21,22,23).
What are the key properties of N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide?
N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide has a molecular weight of 382.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(oxan-3-yloxy)-2-pyridinyl]-2-(6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 170715468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).