2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide

C13H16Cl2N2O2 — CID 105060780

IUPAC2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)C1CCOCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(9-2-4-19-5-3-9)17-13(18)10-6-12(15)16-7-11(10)14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyZACNHXXGQNKPOA-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.93
Rot. Bonds3

About 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105060780) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID105060780
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)C1CCOCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(9-2-4-19-5-3-9)17-13(18)10-6-12(15)16-7-11(10)14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyZACNHXXGQNKPOA-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.93
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-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 114924748
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917727
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 746126
2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
CID 105058307
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide (CID 105060780) is 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)ncc1Cl)C1CCOCC1.
What is the InChIKey of 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZACNHXXGQNKPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(9-2-4-19-5-3-9)17-13(18)10-6-12(15)16-7-11(10)14/h6-9H,2-5H2,1H3,(H,17,18).
What are the key properties of 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105060780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).