2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide

C14H19ClN2O2 — CID 104952816

IUPAC2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CCCCO2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-10-8-11(9-13(15)17-10)14(18)16-6-5-12-4-2-3-7-19-12/h8-9,12H,2-7H2,1H3,(H,16,18)
InChIKeyYXZNSWRCRSMUER-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 104952816) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID104952816
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CCCCO2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-10-8-11(9-13(15)17-10)14(18)16-6-5-12-4-2-3-7-19-12/h8-9,12H,2-7H2,1H3,(H,16,18)
InChIKeyYXZNSWRCRSMUER-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.73
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-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
CID 114105394
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide (CID 104952816) is 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCCC2CCCCO2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is YXZNSWRCRSMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-8-11(9-13(15)17-10)14(18)16-6-5-12-4-2-3-7-19-12/h8-9,12H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 104952816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).