2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide

C12H17ClN2O2 — CID 107856458

IUPAC2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NOC(C)(C)C)cc(Cl)n1
InChIInChI=1S/C12H17ClN2O2/c1-5-9-6-8(7-10(13)14-9)11(16)15-17-12(2,3)4/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyVTVUMJSCONRNPB-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.76
Rot. Bonds3

About 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide (PubChem CID 107856458) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
PubChem CID107856458
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NOC(C)(C)C)cc(Cl)n1
InChIInChI=1S/C12H17ClN2O2/c1-5-9-6-8(7-10(13)14-9)11(16)15-17-12(2,3)4/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyVTVUMJSCONRNPB-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 107582987
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide (CID 107856458) is 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide is CCc1cc(C(=O)NOC(C)(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide?
The InChIKey is VTVUMJSCONRNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-5-9-6-8(7-10(13)14-9)11(16)15-17-12(2,3)4/h6-7H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide is sourced from PubChem (CID 107856458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).