5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide

C13H16Cl2N2O2 — CID 103993210

IUPAC5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1CCCCO1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-7-9(8-17-12(11)15)13(18)16-5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,16,18)
InChIKeyJGHSPGWKZLMGSD-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.08
Rot. Bonds4

About 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 103993210) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID103993210
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1CCCCO1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-7-9(8-17-12(11)15)13(18)16-5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,16,18)
InChIKeyJGHSPGWKZLMGSD-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51116396
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide (CID 103993210) is 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCCC1CCCCO1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is JGHSPGWKZLMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-7-9(8-17-12(11)15)13(18)16-5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,16,18).
What are the key properties of 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).