5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide

C14H20Cl2N2O3 — CID 82961174

IUPAC5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3/c1-3-20-7-5-18(6-8-21-4-2)14(19)11-9-12(15)13(16)17-10-11/h9-10H,3-8H2,1-2H3
InChIKeyQRAHVXANSDGNGY-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.90
Rot. Bonds9

About 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide

5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide (PubChem CID 82961174) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
PubChem CID82961174
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3/c1-3-20-7-5-18(6-8-21-4-2)14(19)11-9-12(15)13(16)17-10-11/h9-10H,3-8H2,1-2H3
InChIKeyQRAHVXANSDGNGY-UHFFFAOYSA-N
XLogP2.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide (CID 82961174) is 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide is CCOCCN(CCOCC)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
The InChIKey is QRAHVXANSDGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-3-20-7-5-18(6-8-21-4-2)14(19)11-9-12(15)13(16)17-10-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 82961174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).