3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide

C11H14Cl2N2O3 — CID 113365346

IUPAC3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCOCCO)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c12-8-2-3-9(13)15-10(8)11(17)14-4-1-6-18-7-5-16/h2-3,16H,1,4-7H2,(H,14,17)
InChIKeyBGQHXHPOQNWWAE-UHFFFAOYSA-N
MW293.15 g/mol
LogP1.52
Rot. Bonds7

About 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide

3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide (PubChem CID 113365346) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
PubChem CID113365346
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCOCCO)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c12-8-2-3-9(13)15-10(8)11(17)14-4-1-6-18-7-5-16/h2-3,16H,1,4-7H2,(H,14,17)
InChIKeyBGQHXHPOQNWWAE-UHFFFAOYSA-N
XLogP1.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 51.52
H-Bond Donors ≤ 52
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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Related Compounds

3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
CID 60578580
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide (CID 113365346) is 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide is O=C(NCCCOCCO)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide?
The InChIKey is BGQHXHPOQNWWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c12-8-2-3-9(13)15-10(8)11(17)14-4-1-6-18-7-5-16/h2-3,16H,1,4-7H2,(H,14,17).
What are the key properties of 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide has a molecular weight of 293.15 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 113365346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).