6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide

C13H17ClN2O2 — CID 103769200

IUPAC6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nc1)C1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-4-6-18-7-5-10)16-13(17)11-2-3-12(14)15-8-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyCDBKLHWHIMHVDF-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.28
Rot. Bonds3

About 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 103769200) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID103769200
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nc1)C1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-4-6-18-7-5-10)16-13(17)11-2-3-12(14)15-8-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyCDBKLHWHIMHVDF-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.28
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

2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
CID 164519355
3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 113406887
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 100623073
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide (CID 103769200) is 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(Cl)nc1)C1CCOCC1.
What is the InChIKey of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is CDBKLHWHIMHVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(10-4-6-18-7-5-10)16-13(17)11-2-3-12(14)15-8-11/h2-3,8-10H,4-7H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103769200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).