N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide

C13H11Cl2N3O2 — CID 75381423

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H11Cl2N3O2/c14-10-7-11(15)13(18-8-10)20-6-5-17-12(19)9-1-3-16-4-2-9/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyOZTACLVHSNONRV-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.59
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide (PubChem CID 75381423) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
PubChem CID75381423
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H11Cl2N3O2/c14-10-7-11(15)13(18-8-10)20-6-5-17-12(19)9-1-3-16-4-2-9/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyOZTACLVHSNONRV-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide (CID 75381423) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide is O=C(NCCOc1ncc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide?
The InChIKey is OZTACLVHSNONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-10-7-11(15)13(18-8-10)20-6-5-17-12(19)9-1-3-16-4-2-9/h1-4,7-8H,5-6H2,(H,17,19).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 75381423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).