2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide

C13H19ClN2O2 — CID 114941685

IUPAC2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-5-18-13(3,4)8-15-12(17)10-6-9(2)16-11(14)7-10/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyIWPXOPWFCGZYRN-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.59
Rot. Bonds5

About 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide (PubChem CID 114941685) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
PubChem CID114941685
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-5-18-13(3,4)8-15-12(17)10-6-9(2)16-11(14)7-10/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyIWPXOPWFCGZYRN-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.59
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-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114944144
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
tert-butyl N-[(2-chloro-6-methylpyridine-4-carbonyl)amino]carbamate
CID 122621219
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
3-bromo-5-[(2-ethoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 114942395
N-(2-ethoxy-2-methylpropyl)-2-hydrazinyl-6-propylpyridine-4-carboxamide
CID 114944205
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide (CID 114941685) is 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide is CCOC(C)(C)CNC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide?
The InChIKey is IWPXOPWFCGZYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-5-18-13(3,4)8-15-12(17)10-6-9(2)16-11(14)7-10/h6-7H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 114941685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).